SCHEMBL46891

SCHEMBL46891

NC(=O)c1cccc(C(=O)O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.61
TSHR P16473 3/20 0.61
HSD17B10 Q99714 2/20 0.61
POLB P06746 1/20 0.61
CYP3A4 P08684 1/20 0.61
MAPT P10636 1/20 0.61
CYP2C19 P33261 1/20 0.61
RECQL P46063 1/20 0.61
BLM P54132 1/20 0.61
PMP22 Q01453 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
DHODH Q02127 2/20 0.58
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA6 P23280 1/20 0.58
CA9 Q16790 1/20 0.58
KMO O15229 1/20 0.54
CYP1A2 P05177 1/20 0.54

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
SCHEMBL935783 1.00 PARP1 (0.61) PARP1TSHRHSD17B10POLBCYP3A4
Terephthalamic Acid SCHEMBL28495422 0.91 PARP1 (0.62) PARP1TSHRHSD17B10POLBCYP3A4
Isophthalic Acid SCHEMBL8647102 0.90 CA12 (0.62) PARP1TSHRHSD17B10POLBCYP3A4
SCHEMBL36694 0.90 PARP1 (0.73) PARP1TSHRHSD17B10POLBCYP3A4
SCHEMBL31021028 0.90 PARP1 (0.73) PARP1TSHRHSD17B10POLBCYP3A4
SCHEMBL18397582 0.89 KMO (0.70) PARP1TSHRHSD17B10POLBCYP3A4
Water SCHEMBL7768285 0.87 PARP1 (0.70) PARP1TSHRHSD17B10POLBCYP3A4
Methane SCHEMBL688609 0.87 PARP1 (0.70) PARP1TSHRHSD17B10POLBCYP3A4
Hydrochloric Acid SCHEMBL1367509 0.87 PARP1 (0.70) PARP1TSHRHSD17B10POLBCYP3A4
Isophthalic Acid SCHEMBL4614187 0.87 CA12 (0.65) TSHRHSD17B10TDP1L3MBTL1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116444381-B Xylylenediamine and a ring preparation method of hexamethylenediamine 江西仰立新材料有限公司 2024-09-06 CN claimed
CN-110088108-B Substituted pyrazoloazepin-4-ones and their use as phosphodiesterase inhibitors 联合疗法公司 2024-06-14 CN claimed
CN-116555938-A PLA fiber and nonwoven made therefrom 道达尔能源科碧恩私人有限公司 2023-08-08 CN claimed
CN-116444381-A Preparation method of xylylenediamine and cyclohexanediamine 江西仰立新材料有限公司 2023-07-18 CN claimed
WO-2022259548-A1 COMBINATION OF LUBRICANTS, POWDER MIXTURE, COMBINATION OF RAW MATERIALS FOR POWDER MIXTURE AND PRODUCTION METHOD FOR SINTERED BODY 昭和電工マテリアルズ株式会社 2022-12-15 WO claimed
WO-2022259547-A1 LUBRICANT, COMBINATION OF LUBRICANTS, POWDER MIXTURE, COMBINATION OF RAW MATERIALS FOR POWDER MIXTURE AND PRODUCTION METHOD FOR SINTERED BODY 昭和電工マテリアルズ株式会社 2022-12-15 WO claimed
WO-2022260009-A1 LUBRICANT, COMBINATION OF LUBRICANTS, POWDER MIXTURE, COMBINATION OF RAW MATERIALS FOR POWDER MIXTURE AND PRODUCTION METHOD FOR SINTERED BODY 昭和電工マテリアルズ株式会社 2022-12-15 WO claimed
EP-3551633-B1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2021-03-31 EP claimed
CN-110088108-A SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS 利奥制药有限公司 2019-08-02 CN claimed
CN-105793252-B Bruton's tyrosine kinase inhibitor 豪夫迈·罗氏有限公司 2018-01-30 CN claimed
EP-1150565-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2001-11-07 EP claimed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 WO claimed
US-5932134-A Polymer-based composition for producting magnetic and magnetizable molded articles A. SCHULMAN GMBH (DE) 1999-08-03 US claimed
US-5877270-A Water solvent extraction degreasing method and molded products produced therewith KABUSHIKI KAISHA KOMATSU SEISAKUSHO (JP) 1999-03-02 US claimed
EP-0809556-B1 BINDER FOR USE IN METAL POWDER INJECTION MOLDING AND DEBINDING METHOD BY THE USE OF THE SAME KOMATSU MFG CO LTD (JP) 1998-10-21 EP claimed
EP-0765526-B1 POLYMER COMPOSITION FOR THE PRODUCTION OF MAGNETIC AND MAGNETIZABLE MOULDINGS SCHULMAN A GMBH (DE) 1998-05-27 EP claimed
EP-0809556-A1 BINDER FOR USE IN METAL POWDER INJECTION MOLDING AND DEBINDING METHOD BY THE USE OF THE SAME KOMATSU LTD. (JP) 1997-12-03 EP claimed
US-5627258-A POLYAMIDES KABUSHIKI KAISHA KOMATSU SEISAKUSHO (JP) 1997-05-06 US claimed
WO-1996025261-A1 BINDER FOR USE IN METAL POWDER INJECTION MOLDING AND DEBINDING METHOD BY THE USE OF THE SAME KOMATSU LTD. (JP) 1996-08-22 WO claimed
US-4859558-A Composition with fatty acid bisamide powder developer FUJI XEROX CO., LTD. (JP) 1989-08-22 US claimed