SCHEMBL11077158

SCHEMBL11077158

COC(=O)C1(CCCCCCC2CCCC2)CO1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.39
EPHX1 P07099 1/20 0.38
NAAA Q02083 5/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
KDM5A P29375 3/20 0.38
PHF8 Q9UPP1 3/20 0.38
KDM2A Q9Y2K7 3/20 0.38
KDM4C Q9H3R0 2/20 0.38
KDM4A O75164 1/20 0.37
ABCB11 O95342 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL11075218 1.00 SIGMAR1 (0.39) SIGMAR1EPHX1NAAACYP4F2CYP4A11
SCHEMBL11068963 1.00 SIGMAR1 (0.39) SIGMAR1EPHX1NAAACYP4F2CYP4A11
SCHEMBL11076593 0.99 SIGMAR1 (0.41) SIGMAR1EPHX1NAAAKDM5APHF8
SCHEMBL11077308 0.99 SIGMAR1 (0.41) SIGMAR1EPHX1NAAAKDM5APHF8
SCHEMBL11075681 0.99 SIGMAR1 (0.41) SIGMAR1EPHX1NAAAKDM5APHF8
SCHEMBL11071161 0.99 SIGMAR1 (0.41) SIGMAR1EPHX1NAAAKDM5APHF8
SCHEMBL11070926 0.97 EPHX1 (0.41) SIGMAR1EPHX1NAAA
SCHEMBL11077066 0.97 CYP4F2 (0.38) SIGMAR1EPHX1NAAACYP4F2CYP4A11
SCHEMBL11073629 0.97 EPHX1 (0.41) SIGMAR1EPHX1NAAA
SCHEMBL11076567 0.97 EPHX1 (0.41) SIGMAR1EPHX1NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4430339-A PROPHYLAXIS, METABOLISM, GLUCOSE, FATS, HYPOGLYCEMIC AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-02-07 US disclosed
WO-1982000822-A1 SUBSTITUTED OXIRANECARBOXYLIC ACIDS,THEIR PREPARATION AND THEIR USE AS MEDICAMENTS EISTETTER K 1982-03-18 WO disclosed