SCHEMBL8959798

SCHEMBL8959798

O=C(O)CCCn1cc(C(=O)C=Cc2ccccc2)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.54
SRD5A1 P18405 4/20 0.49
SRD5A2 P31213 4/20 0.49
FABP4 P15090 2/20 0.48
FABP5 Q01469 2/20 0.48
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYSLTR2 Q9NS75 1/20 0.46
CYSLTR1 Q9Y271 1/20 0.46
CNR2 P34972 5/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.45
CNR1 P21554 5/20 0.45

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
SCHEMBL8959788 1.00 CREBBP (0.54) CREBBPSRD5A1SRD5A2FABP4FABP5
SCHEMBL8959940 0.89 CNR2 (0.52) CREBBPSRD5A1SRD5A2ALDH1A1SMN1; SMN2
SCHEMBL8959934 0.89 CNR2 (0.52) CREBBPSRD5A1SRD5A2ALDH1A1SMN1; SMN2
SCHEMBL8959613 0.88 SRD5A1 (0.59) CREBBPSRD5A1SRD5A2ALDH1A1SMN1; SMN2
SCHEMBL8959617 0.88 SRD5A1 (0.59) CREBBPSRD5A1SRD5A2ALDH1A1SMN1; SMN2
SCHEMBL8960132 0.80 CNR2 (0.54) CREBBPCNR2CNR1
SCHEMBL8959961 0.80 CNR2 (0.54) CREBBPCNR2CNR1
SCHEMBL8959785 0.80 CNR2 (0.54) CREBBPCNR2CNR1
SCHEMBL8960139 0.80 CNR2 (0.54) CREBBPCNR2CNR1
SCHEMBL8959955 0.80 CNR2 (0.54) CREBBPCNR2CNR1

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