SCHEMBL8728950

SCHEMBL8728950

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

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.63
SRD5A1 P18405 2/20 0.49
SRD5A2 P31213 2/20 0.49
CTNNB1 P35222 1/20 0.48
WNT3A P56704 1/20 0.48
ALOX5 P09917 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 1/20 0.47
TP53 P04637 1/20 0.42
IP6K1 Q92551 1/20 0.42
IP6K3 Q96PC2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
IP6K2 Q9UHH9 1/20 0.42
TTR P02766 2/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
MRGPRX4 Q96LA9 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
SCHEMBL30257325 1.00 CNR1 (0.63) CNR1SRD5A1SRD5A2CTNNB1WNT3A
SCHEMBL9040996 0.98 CNR1 (0.62) CNR1SRD5A1SRD5A2CTNNB1WNT3A
SCHEMBL8728849 0.87 CNR1 (0.60) CNR1SRD5A1SRD5A2CTNNB1WNT3A
SCHEMBL9144238 0.87 CNR1 (0.60) CNR1SRD5A1SRD5A2CTNNB1WNT3A
Lithium Ion SCHEMBL9040989 0.85 CNR1 (0.59) CNR1SRD5A1SRD5A2CTNNB1WNT3A
SCHEMBL8118245 0.85 SRD5A2 (0.50) CNR1SRD5A1SRD5A2CTNNB1WNT3A
SCHEMBL4472949 0.85 CNR1 (0.49) CNR1SRD5A1SRD5A2CTNNB1WNT3A
SCHEMBL13875364 0.84 CNR1 (0.58) CNR1SRD5A1SRD5A2CTNNB1WNT3A
SCHEMBL12450814 0.83 CNR1 (0.56) CNR1SRD5A1SRD5A2CTNNB1WNT3A
SCHEMBL12450809 0.83 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