SCHEMBL8440796

SCHEMBL8440796

COC(=O)c1ccoc1CCOS(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 3/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
CFTR P13569 1/20 0.35
KDM4E B2RXH2 3/20 0.35

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
SCHEMBL1272052 0.79 HSD17B10 (0.41) HSD17B10ALDH1A1MAPTKMT2ACA1
SCHEMBL6982655 0.79 KDM4E (0.45) HSD17B10ALDH1A1MAPTKMT2ALMNA
SCHEMBL28327621 0.79 HSD17B10 (0.46) HSD17B10ALDH1A1MAPTKMT2ALMNA
SCHEMBL27522482 0.77 HSD17B10 (0.42) HSD17B10ALDH1A1MAPTKMT2ALMNA
Hydrochloric Acid SCHEMBL6986015 0.76 ALDH1A1 (0.42) HSD17B10ALDH1A1MAPTKMT2ACA1
SCHEMBL985442 0.75 KDM4E (0.38) ALDH1A1LMNATSHRKDM4E
SCHEMBL13825394 0.75 HSD17B10 (0.48) HSD17B10ALDH1A1MAPTKMT2ACA1
SCHEMBL21776794 0.75 KDM4E (0.50) HSD17B10ALDH1A1MAPTKMT2ATSHR
SCHEMBL1272050 0.75 HSD17B10 (0.41) HSD17B10ALDH1A1MAPTKMT2ACA1
SCHEMBL23043909 0.74 KDM4E (0.39) HSD17B10ALDH1A1MAPTKMT2ACA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5998433-A THERAPY FOR HYPERLIPIDEMIA; ATHEROSCLEROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-12-07 US disclosed
CN-1160403-A Substd. heterobicyclic alkyl amines and their use as squalene oxide cyclase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-09-24 CN disclosed
EP-0785939-A1 SUBSTITUTED HETEROBICYCLIC ALKYL AMINES AND THEIR USE AS SQUALENE OXIDE CYCLASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 1997-07-30 EP disclosed
WO-1996011201-A1 SUBSTITUTED HETEROBICYCLIC ALKYL AMINES AND THEIR USE AS SQUALENE OXIDE CYCLASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-04-18 WO disclosed