SCHEMBL8728849

SCHEMBL8728849

O=C(Cl)c1ccc2c(c1)OC(c1ccccc1)(c1ccccc1)O2

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 12/20 0.60
SRD5A1 P18405 2/20 0.47
SRD5A2 P31213 2/20 0.47
CTNNB1 P35222 3/20 0.46
WNT3A P56704 3/20 0.46
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALOX5 P09917 1/20 0.36
CFTR P13569 1/20 0.35

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
SCHEMBL30257325 0.87 CNR1 (0.63) CNR1SRD5A1SRD5A2CTNNB1WNT3A
SCHEMBL8728950 0.87 CNR1 (0.63) CNR1SRD5A1SRD5A2CTNNB1WNT3A
SCHEMBL9040996 0.85 CNR1 (0.62) CNR1SRD5A1SRD5A2CTNNB1WNT3A
SCHEMBL9144238 0.84 CNR1 (0.60) CNR1SRD5A1SRD5A2CTNNB1WNT3A
SCHEMBL12450809 0.83 CNR1 (0.56) CNR1SRD5A1SRD5A2CTNNB1WNT3A
Lithium Ion SCHEMBL9040989 0.83 CNR1 (0.59) CNR1SRD5A1SRD5A2CTNNB1WNT3A
SCHEMBL13875364 0.81 CNR1 (0.58) CNR1SRD5A1SRD5A2CTNNB1WNT3A
SCHEMBL6811997 0.81 CNR1 (0.54) CNR1SRD5A1SRD5A2CTNNB1WNT3A
SCHEMBL12450018 0.80 CNR1 (0.56) CNR1SRD5A1SRD5A2CTNNB1WNT3A
SCHEMBL6812882 0.80 CNR1 (0.56) CNR1SRD5A1SRD5A2CTNNB1WNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5767139-A SKIN DISORDERS; ALOPECIA; PROSTATE CANCER PFIZER, INC. (US) 1998-06-16 US disclosed
EP-0628040-B1 INDOLE DERIVATIVES AS STEROID 5 ALPHA-REDUCTASE INHIBITORS PFIZER LTD (GB) 1998-03-25 EP disclosed
EP-0628040-A1 INDOLE DERIVATIVES AS STEROID 5 ALPHA-REDUCTASE INHIBITORS Pfizer Limited (GB) 1994-12-14 EP disclosed
WO-1993017014-A1 INDOLE DERIVATIVES AS STEROID 5 ALPHA-REDUCTASE INHIBITORS PFIZER LIMITED (GB) 1993-09-02 WO disclosed