SCHEMBL181945

SCHEMBL181945

CCOC(=O)CC(Cl)(Cl)Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
MGAM O43451 1/20 0.52
SI P14410 1/20 0.52
MGAM2 Q2M2H8 1/20 0.52
ALDH1A1 P00352 4/20 0.48
TRPA1 O75762 1/20 0.48
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
ALOX15 P16050 1/20 0.40
SOAT1 P35610 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
HSD11B1 P28845 1/20 0.37
TSHR P16473 1/20 0.35
ELANE P08246 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hexane SCHEMBL9472263 0.91 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL8820595 0.83 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL8995702 0.81 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28366036 0.81 NAAA (0.39) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL5748555 0.81 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL148782 0.79 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1339430 0.79 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL27607206 0.79 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11139181 0.79 GAA (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL8158517 0.78 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1320 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119371582-A Polybutadiene composite rubber and preparation method thereof, rubber composition and application thereof 中国石油化工股份有限公司 2025-01-28 CN claimed
CN-115894418-B Mongolian artelactone A-F and pharmaceutical composition thereof, and preparation method and application thereof 中国科学院昆明植物研究所 2024-03-29 CN claimed
CN-114524825-B Bulleyanolide A-T and pharmaceutical composition, preparation method and application thereof 中国科学院昆明植物研究所 2024-01-12 CN claimed
CN-115745933-B Artemisia rupestris sesquiterpene lactone A-N and pharmaceutical composition thereof, and preparation method and application thereof 中国科学院昆明植物研究所 2024-01-12 CN claimed
CN-117209462-A Bai Lianhao lactone A-U and pharmaceutical composition thereof, and preparation method and application thereof 中国科学院昆明植物研究所 2023-12-12 CN claimed
CN-112225746-B Artemisia anethospermum lactone A-R and pharmaceutical composition and application thereof 中国科学院昆明植物研究所 2023-09-12 CN claimed
CN-114874170-B Artemisia doku lactone A-J and pharmaceutical composition thereof, and preparation method and application thereof 中国科学院昆明植物研究所 2023-09-05 CN claimed
CN-113527324-B Dark green artetretene A-L, pharmaceutical composition and application thereof 中国科学院昆明植物研究所 2023-08-11 CN claimed
CN-115894418-A Mongolian wormwood lactone A-F and pharmaceutical composition thereof, and preparation method and application thereof 中国科学院昆明植物研究所 2023-04-04 CN claimed
CN-115745933-A Artemisia rupestris sesquiterpene lactone A-N, pharmaceutical composition thereof, and preparation method and application thereof 中国科学院昆明植物研究所 2023-03-07 CN claimed
CN-100502912-C Medicine for treating deficiency syndrome, its preparing process and usage SICHUAN ZHONGHUI PHARMACEUTICA (CN) 2009-06-24 CN claimed
CN-100478015-C Composition of Chinese traditional medicine for treating allergic rhinitis, and preparation method HUASHEN CO LTD (CN) 2009-04-15 CN claimed
CN-101357907-A 2-aryl-substituted benzothiazolines compound and derivate thereof, preparation method and application UNIV FUDAN (CN) 2009-02-04 CN claimed
WO-2008018716-A1 SILLICA CAPSULES HAVING NANO-HOLES OR NANO-PORES ON THEIR SURFACES AND METHOD FOR PREPARING THE SAME KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2008-02-14 WO claimed
CN-101028474-A Method for inspecting the quality of Chinese preparation with Yang-and kidney tonifying functions BEILIN PHARMACEUTICAL CO LTD X (CN) 2007-09-05 CN claimed
CN-1038105-C Making Method of apoplexy plaster ZHOU BAOMIN (CN) 1998-04-22 CN claimed
CN-1067812-A A kind of preparation method of Ointment for treating apoplexy ZHOU BAOMIN (CN) 1993-01-13 CN claimed
CN-1061601-A The preparation method of tripterygium wilforbii and antifertility purposes SKIN DISEASE INST OF THE CHINE (CN) 1992-06-03 CN claimed
CN-1060845-A The preparation method of Triptonide and antifertility purposes DERMATOLOGY INST CHINESE ACADE (CN) 1992-05-06 CN claimed
CN-1052860-A The preparation method of tripchlorolide and antifertility purposes SKIN DISEASE INST CHINESE ACAD (CN) 1991-07-10 CN claimed