SCHEMBL9796377

SCHEMBL9796377

CCCc1ccc(CCC2(CC)C=CC(c3ccccc3)=CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
HSD11B1 P28845 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PDE10A Q9Y233 1/20 0.31
MCL1 Q07820 1/20 0.31
FFAR1 O14842 1/20 0.30
KDM1A O60341 1/20 0.30
MAOA P21397 1/20 0.30

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
SCHEMBL9796298 0.86 SIGMAR1 (0.39) SIGMAR1KDM4ENPC1ALDH1A1MAPT
SCHEMBL9007112 0.84 KDM1A (0.33) KDM1AMAOAMAOB
SCHEMBL27543362 0.83 ELANE (0.34) OPRM1OPRD1OPRK1OPRL1KDM4E
SCHEMBL31549868 0.81 MMP2 (0.34) SIGMAR1KDM4ENPC1ALDH1A1MAPT
SCHEMBL27262899 0.79 HSD11B1 (0.35) OPRL1HSD11B1
SCHEMBL27262487 0.78
SCHEMBL27262106 0.78 HTR2A (0.36) HSD11B1KDM4EALDH1A1MAPTHSD17B10
SCHEMBL27263234 0.78 HTR2A (0.36) HSD11B1KDM4EALDH1A1MAPTHSD17B10
SCHEMBL27262720 0.78 HTR2A (0.36) HSD11B1KDM4EALDH1A1MAPTHSD17B10
SCHEMBL27262507 0.78 HTR2A (0.36) HSD11B1KDM4EALDH1A1MAPTHSD17B10

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
EP-0407569-A1 DIPHENYLETHANES MERCK PATENT GmbH (DE) 1991-01-16 EP disclosed