SCHEMBL31556366

SCHEMBL31556366

COc1ccc(C2(O)CCCOCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
OPRM1 P35372 2/20 0.47
OPRD1 P41143 2/20 0.47
OPRK1 P41145 2/20 0.47
OPRL1 P41146 2/20 0.47
ALDH1A1 P00352 5/20 0.44
POLB P06746 4/20 0.43
HSD11B1 P28845 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL4574484 0.93 OPRM1 (0.51) HRH3CYP3A4CYP2C19OPRM1OPRD1
SCHEMBL21874277 0.87 CYP3A4 (0.45) CYP3A4CYP2C19OPRM1OPRD1OPRK1
SCHEMBL10319703 0.84 OPRM1 (0.55) HRH3OPRM1OPRD1OPRK1OPRL1
SCHEMBL12317609 0.84 OPRM1 (0.55) HRH3CYP3A4CYP2C19OPRM1OPRD1
SCHEMBL29262933 0.83 OPRM1 (0.46) HRH3CYP3A4CYP2C19OPRM1OPRD1
SCHEMBL2778410 0.83 SLC6A4 (0.54) HRH3OPRM1OPRD1OPRK1OPRL1
SCHEMBL21874209 0.83 SLC6A4 (0.54) HRH3OPRM1OPRD1OPRK1OPRL1
SCHEMBL29151340 0.83 SLC6A4 (0.54) HRH3OPRM1OPRD1OPRK1OPRL1
SCHEMBL28970507 0.83 SLC6A4 (0.54) HRH3OPRM1OPRD1OPRK1OPRL1
SCHEMBL29151325 0.83 SLC6A4 (0.54) HRH3OPRM1OPRD1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025068943-A1 KAT6 INHIBITORS BEIGENE SWITZERLAND GMBH (CH) 2025-04-03 WO disclosed