SCHEMBL9066006

SCHEMBL9066006

C=CC[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 3/20 0.51
SRD5A2 P31213 4/20 0.49
AR P10275 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
ESR1 P03372 1/20 0.46
PGR P06401 1/20 0.46
CHRM2 P08172 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CHRM1 P11229 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46

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
SCHEMBL9066010 1.00 SRD5A1 (0.51) SRD5A1SRD5A2ARALDH1A1LMNA
SCHEMBL8080858 0.83 SRD5A2 (0.50) SRD5A1SRD5A2AR
SCHEMBL8080861 0.83 SRD5A2 (0.50) SRD5A1SRD5A2AR
SCHEMBL9066310 0.82 SRD5A2 (0.47) SRD5A1SRD5A2AR
SCHEMBL6694162 0.82 SRD5A2 (0.49) SRD5A1SRD5A2AR
SCHEMBL6694699 0.81 SRD5A2 (0.48) SRD5A1SRD5A2AR
SCHEMBL9066061 0.77 HSD17B7 (0.55) SRD5A1SRD5A2
SCHEMBL9270145 0.77 HSD17B7 (0.55) SRD5A1SRD5A2
SCHEMBL9066057 0.77 HSD17B7 (0.55) SRD5A1SRD5A2
SCHEMBL9216217 0.76 SRD5A2 (0.52) SRD5A1SRD5A2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5494914-A USEFUL FOR TREATMENT OF DISEASES WHOSE PROGRESS IS AIDED BY ACTIVATION OF ANDROGEN RECEPTORS ENDORECHERCHE (CA) 1996-02-27 US disclosed
EP-0641211-A1 INHIBITORS OF TESTOSTERONE 5$g(a)-REDUCTASE ACTIVITY ENDORECHERCHE INC. (CA) 1995-03-08 EP disclosed
WO-1993023053-A1 INHIBITORS OF TESTOSTERONE 5α-REDUCTASE ACTIVITY ENDORECHERCHE INC. (CA) 1993-11-25 WO disclosed