SCHEMBL8959934

SCHEMBL8959934

COc1ccc(/C=C/C(=O)c2cn(CCCC(=O)O)c3ccccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.52
PADI4 Q9UM07 1/20 0.50
CYSLTR2 Q9NS75 2/20 0.49
CYSLTR1 Q9Y271 2/20 0.49
ABCG2 Q9UNQ0 3/20 0.49
MAPT P10636 2/20 0.49
MAOB P27338 2/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
MAOA P21397 1/20 0.49
CYP2C19 P33261 1/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
CREBBP Q92793 1/20 0.49
BCHE P06276 1/20 0.49
CYP3A4 P08684 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49

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
SCHEMBL8959940 1.00 CNR2 (0.52) CNR2PADI4CYSLTR2CYSLTR1ABCG2
SCHEMBL8959788 0.89 CREBBP (0.54) CNR2CYSLTR2CYSLTR1CREBBPALDH1A1
SCHEMBL8959798 0.89 CREBBP (0.54) CNR2CYSLTR2CYSLTR1CREBBPALDH1A1
SCHEMBL8959617 0.84 SRD5A1 (0.59) CNR2CYSLTR2CYSLTR1CREBBPNPC1
SCHEMBL8959613 0.84 SRD5A1 (0.59) CNR2CYSLTR2CYSLTR1CREBBPNPC1
SCHEMBL9339624 0.80 CNR1 (0.54) ABCG2MAPTMAOBCREBBPALDH1A1
SCHEMBL9339619 0.80 CNR1 (0.54) ABCG2MAPTMAOBCREBBPALDH1A1
SCHEMBL8959961 0.75 CNR2 (0.54) CNR2CREBBP
SCHEMBL8960132 0.75 CNR2 (0.54) CNR2CREBBP
SCHEMBL8959955 0.75 CNR2 (0.54) CNR2CREBBP

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