SCHEMBL971269

SCHEMBL971269

O=C(O)CC1=CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
HPGD P15428 3/20 0.47
TAAR1 Q96RJ0 1/20 0.46
EPHX1 P07099 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
FFAR1 O14842 1/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX15 P16050 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL22607754 0.98 ALDH1A1 (0.46) ALDH1A1HPGDTAAR1EPHX1NPSR1
SCHEMBL11626141 0.98 ALDH1A1 (0.46) ALDH1A1HPGDTAAR1EPHX1NPSR1
SCHEMBL22607753 0.98 ALDH1A1 (0.46) ALDH1A1HPGDTAAR1EPHX1NPSR1
SCHEMBL10568010 0.98 ALDH1A1 (0.46) ALDH1A1HPGDTAAR1EPHX1NPSR1
SCHEMBL10568015 0.98 ALDH1A1 (0.46) ALDH1A1HPGDTAAR1EPHX1NPSR1
SCHEMBL10569720 0.98 ALDH1A1 (0.46) ALDH1A1HPGDTAAR1EPHX1NPSR1
SCHEMBL1691833 0.93
SCHEMBL4290928 0.85 ALDH1A1 (0.46) ALDH1A1HPGDTAAR1EPHX1NPSR1
SCHEMBL6165925 0.84 ALDH1A1 (0.45) ALDH1A1HPGDTAAR1EPHX1NPSR1
SCHEMBL2127670 0.82 ALDH1A1 (0.44) ALDH1A1HPGDTAAR1EPHX1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113960235-B Application and method of biomarker in preparation of lung cancer detection reagent 中山大学肿瘤防治中心(中山大学附属肿瘤医院、中山大学肿瘤研究所) 2023-03-14 CN claimed
CN-111484523-B Preparation method of optically pure trans-2- (diphenylphosphino) -1-cyclohexanecarboxylic acid 南京工业大学 2022-07-08 CN claimed
CN-108976127-B Method and system for preparing cyclohexyl acetate and separating cyclohexane and acetic acid 中国石油化工股份有限公司 2021-07-30 CN claimed
CN-109097117-B Energy-saving and environment-friendly gasoline combustion improver and preparation method thereof 北京燧火科技有限公司 2021-07-06 CN claimed
CN-110937608-B Preparation method of high-quality sodium silicate for silicon dioxide 安徽龙泉硅材料有限公司 2020-11-03 CN claimed
CN-111484523-A Preparation method of optically pure trans-2- (diphenylphosphino) -1-cyclohexanecarboxylic acid 南京工业大学 2020-08-04 CN claimed
CN-108976127-A A kind of method and system of cyclohexyl acetate preparation and separating benzene-cyclohexane and acetic acid 中国石油化工股份有限公司 2018-12-11 CN claimed
WO-2018145219-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING ADDICTIONS BY MEANS OF AVERSIVE COUNTERCONDITIONING SERANI MOSTAZAL JORGE (CL) 2018-08-16 WO claimed
CN-105152902-A Method for preparing 1-cyclohexenylacetic acid TAICANG YUNTONG BIOCHEMICAL ENGINEERING CO LTD 2015-12-16 CN claimed
CN-105061183-A Method for preparing 1-cyclohexenylacetic acid TAICANG YUNTONG BIOCHEMICAL ENGINEERING CO LTD 2015-11-18 CN claimed
CN-104230698-A Synthesis method of 1-cyclohexenylacetic acid TAICANG YUNTONG BIOCHEMICAL ENGINEERING CO LTD 2014-12-24 CN claimed
EP-0977742-B1 THE PREPARATION OF ENANTIOMERICALLY ENRICHED OXAZOLONES AND ALPHA, ALPHA-DISUBSTITUTED AMINO ACIDS UNIV LELAND STANFORD JUNIOR (US) 2003-09-10 EP claimed
WO-1994028389-A1 USE OF SATURATED, RING-CONTAINING COMPOUNDS AS CLEARING SOLVENTS CAMIENER GERALD W (US) 1994-12-08 WO claimed
US-5344637-A Microscopic analysis of biological specimens AMRESCO, LLC 1994-09-06 US claimed
CN-1050386-A Indoles and benzo quinoline, their preparation and they are as anti-arrhythmic SANKYO CO (JP) 1991-04-03 CN claimed
EP-0415776-A2 Indolobenzoquinoline derivatives, their preparation and their use as anti-arrhythmic drugs Sankyo Company Limited (JP) 1991-03-06 EP claimed
EP-0122763-B1 BLEACH COMPOSITIONS Interox Chemicals Limited (GB) 1987-06-16 EP claimed
EP-0092932-B1 HYDROGEN PEROXIDE COMPOSITIONS Interox Chemicals Limited (GB) 1986-05-28 EP claimed
JP-5103690-A None JP disclosed
US-3945888-A AMIDATION, ENZYMES OF ESCHERICHIA, BACILLUS, PROTEUS TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1976-03-23 US disclosed