SCHEMBL6829281

SCHEMBL6829281

NC(=O)c1cccc(C2(O)CCCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.53
OPRK1 P41145 4/20 0.53
OPRD1 P41143 2/20 0.53
PARP1 P09874 8/20 0.47
PARP10 Q53GL7 1/20 0.44
PKM P14618 1/20 0.42
TSHR P16473 2/20 0.41
GAA P10253 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KCNH2 Q12809 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
SCHEMBL29503174 1.00 OPRM1 (0.53) OPRM1OPRK1OPRD1PARP1PARP10
SCHEMBL29503130 0.98 OPRM1 (0.52) OPRM1OPRK1OPRD1PARP1PARP10
SCHEMBL29503124 0.97 OPRM1 (0.50) OPRM1OPRK1OPRD1PARP1PARP10
SCHEMBL28241099 0.84 ATM (0.44) OPRM1OPRK1OPRD1TSHRGAA
SCHEMBL11004731 0.83 OPRM1 (0.50) OPRM1OPRK1OPRD1PARP1PARP10
SCHEMBL13386513 0.79 PARP1 (0.50) OPRM1OPRK1OPRD1PARP1TSHR
SCHEMBL27716654 0.78 OPRM1 (0.49) OPRM1OPRK1OPRD1PARP1TSHR
SCHEMBL13386512 0.77 PARP1 (0.48) OPRM1OPRK1OPRD1PARP1PARP10
SCHEMBL10083357 0.76 AKR1C1 (0.50) OPRM1OPRK1OPRD1PARP1PARP10
SCHEMBL2831672 0.75 PARP1 (0.64) OPRM1OPRK1PARP1PARP10TSHR

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
EP-1448544-A1 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2004-08-25 EP disclosed
WO-2003044006-A1 SUBSTITUTED BENZOPYRANS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2003-05-30 WO disclosed