SCHEMBL8959613

SCHEMBL8959613

CC(C)Cc1ccc(/C=C/C(=O)c2cn(CCCC(=O)O)c3ccccc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 6/20 0.59
SRD5A2 P31213 6/20 0.59
CREBBP Q92793 1/20 0.47
HDAC1 Q13547 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC2 Q92769 1/20 0.45
CNR2 P34972 5/20 0.43
CNR1 P21554 4/20 0.43
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL8959617 1.00 SRD5A1 (0.59) SRD5A1SRD5A2CREBBPHDAC1HDAC6
SCHEMBL8959798 0.88 CREBBP (0.54) SRD5A1SRD5A2CREBBPCNR2CNR1
SCHEMBL8959788 0.88 CREBBP (0.54) SRD5A1SRD5A2CREBBPCNR2CNR1
SCHEMBL8959934 0.84 CNR2 (0.52) SRD5A1SRD5A2CREBBPCNR2CYSLTR2
SCHEMBL8959940 0.84 CNR2 (0.52) SRD5A1SRD5A2CREBBPCNR2CYSLTR2
SCHEMBL8959948 0.80 SRD5A1 (0.61) SRD5A1SRD5A2CREBBPCNR2CNR1
SCHEMBL8959688 0.79 SRD5A1 (0.55) SRD5A1SRD5A2CREBBPCNR2CNR1
SCHEMBL8959679 0.79 SRD5A1 (0.55) SRD5A1SRD5A2CREBBPCNR2CNR1
SCHEMBL8792796 0.78 SRD5A1 (0.80) SRD5A1SRD5A2CREBBPCNR2CNR1
SCHEMBL5701966 0.77 SRD5A1 (0.60) SRD5A1SRD5A2CREBBPCNR2CNR1

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