SCHEMBL7778428

SCHEMBL7778428

CC(C)c1c(C2C=Cc3ccccc32)ccc2c1Cc1ccccc1-2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PGR P06401 1/20 0.32
HTR2A P28223 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HTR7 P34969 1/20 0.30
HTR2B P41595 1/20 0.30
SIGMAR1 Q99720 2/20 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
SCHEMBL5823610 0.85 PNMT (0.41) PNMTNPC1RAB9APGRHTR2A
SCHEMBL29606694 0.76 PNMT (0.35) PNMTNPC1RAB9A
SCHEMBL21326206 0.74 PNMT (0.37) PNMTNPC1RAB9ACYP3A4HSD17B10
SCHEMBL2968923 0.74 MAOA (0.35) NPC1RAB9AHTR2AHTR2BSIGMAR1
SCHEMBL7602996 0.72 PNMT (0.35) PNMTNPC1RAB9APGRHTR7
SCHEMBL8857057 0.72 PNMT (0.45) PNMTNPC1RAB9A
SCHEMBL8151832 0.72
SCHEMBL17024336 0.71 PNMT (0.41) PNMTNPC1RAB9APGRHTR2A
SCHEMBL7612690 0.71 PNMT (0.33) PNMTNPC1RAB9A
SCHEMBL7605924 0.71 PNMT (0.44) PNMTNPC1RAB9A

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-0751143-B1 Process for the preparation of carbon bridged dicyclopentadiene compounds BASELL POLYOLEFINE GMBH (DE) 2001-09-05 EP disclosed
EP-0751143-A2 Process for the preparation of carbon bridged dicyclopentadiene compounds HOECHST AKTIENGESELLSCHAFT (DE) 1997-01-02 EP disclosed