SCHEMBL8959688

SCHEMBL8959688

CCCCC(OCC=CC(=O)c1cn(CCCC(=O)O)c2ccccc12)c1ccc(CC(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 5/20 0.55
SRD5A2 P31213 5/20 0.55
CNR2 P34972 14/20 0.42
CNR1 P21554 6/20 0.42
CREBBP Q92793 1/20 0.39

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
SCHEMBL8959679 1.00 SRD5A1 (0.55) SRD5A1SRD5A2CNR2CNR1CREBBP
SCHEMBL8959858 0.85 SRD5A1 (0.58) SRD5A1SRD5A2CNR2CNR1CREBBP
SCHEMBL8959973 0.84 SRD5A1 (0.59) SRD5A1SRD5A2CNR2CNR1
SCHEMBL9334036 0.80 SRD5A1 (0.79) SRD5A1SRD5A2CNR2CNR1
SCHEMBL8432773 0.80 SRD5A1 (0.79) SRD5A1SRD5A2CNR2CNR1
SCHEMBL9334029 0.80 SRD5A1 (0.79) SRD5A1SRD5A2CNR2CNR1
SCHEMBL8959983 0.79 SRD5A1 (0.53) SRD5A1SRD5A2
SCHEMBL8959617 0.79 SRD5A1 (0.59) SRD5A1SRD5A2CNR2CNR1CREBBP
SCHEMBL8959613 0.79 SRD5A1 (0.59) SRD5A1SRD5A2CNR2CNR1CREBBP
SCHEMBL9334061 0.78 SRD5A1 (0.78) SRD5A1SRD5A2CNR2CNR1

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
US-5530019-A FOR TREATMENT OF PROSTATE GLAND DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-06-25 US disclosed