SCHEMBL8959660

SCHEMBL8959660

CCCCC(OCCCCCc1cn(CCCC(=O)OCC)c2ccccc12)c1ccc(CC(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 5/20 0.43
SRD5A2 P31213 5/20 0.43
CNR1 P21554 3/20 0.42
CREBBP Q92793 1/20 0.41
CDC25A P30304 1/20 0.40
ICMT O60725 1/20 0.39
PTGS2 P35354 1/20 0.39
MCL1 Q07820 2/20 0.38
TNF P01375 2/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
OXER1 Q8TDS5 1/20 0.36

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
SCHEMBL8959983 0.91 SRD5A1 (0.53) SRD5A1SRD5A2CDC25AICMTMCL1
SCHEMBL8959655 0.88 SRD5A1 (0.49) SRD5A1SRD5A2CNR1CREBBP
SCHEMBL8959830 0.88 CNR1 (0.49) SRD5A1SRD5A2CNR1CREBBP
SCHEMBL8959708 0.86 CNR1 (0.51) SRD5A1SRD5A2CNR1CREBBPCDC25A
SCHEMBL9288243 0.83 OXER1 (0.38) SRD5A1SRD5A2PTGS2MCL1OXER1
SCHEMBL9337367 0.79 SRD5A1 (0.66) SRD5A1SRD5A2CNR1CREBBP
SCHEMBL8959973 0.79 SRD5A1 (0.59) SRD5A1SRD5A2CNR1
SCHEMBL8960038 0.79 CNR1 (0.56) CNR1CREBBPCDC25AICMTMCL1
SCHEMBL8959858 0.79 SRD5A1 (0.58) SRD5A1SRD5A2CNR1CREBBP
SCHEMBL9334109 0.78 SRD5A1 (0.65) SRD5A1SRD5A2CNR1CREBBP

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