SCHEMBL8960051

SCHEMBL8960051

O=C(O)CCCn1cc(C(=O)CCC(=O)O)c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.62
CNR2 P34972 11/20 0.57
FABP4 P15090 2/20 0.55
FABP5 Q01469 2/20 0.55
SRD5A1 P18405 1/20 0.55
SRD5A2 P31213 1/20 0.55
KMT2A Q03164 1/20 0.55
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
CNR1 P21554 3/20 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
SCHEMBL8959936 0.93 CREBBP (0.60) CREBBPCNR2FABP4FABP5SRD5A1
SCHEMBL8959968 0.87 CNR2 (0.67) CREBBPCNR2CNR1
SCHEMBL8959732 0.87 CNR2 (0.67) CREBBPCNR2CNR1
SCHEMBL8959919 0.87 CREBBP (0.57) CREBBPCNR2FABP4FABP5SRD5A1
SCHEMBL8959839 0.87 CNR2 (0.67) CREBBPCNR2CNR1
SCHEMBL8959987 0.87 CNR2 (0.67) CREBBPCNR2CNR1
SCHEMBL8959985 0.87 CNR2 (0.67) CREBBPCNR2CNR1
SCHEMBL8959748 0.87 CNR2 (0.67) CREBBPCNR2CNR1
SCHEMBL9247864 0.87 CNR2 (0.67) CREBBPCNR2CNR1
SCHEMBL286791 0.85 CNR2 (0.72) CNR2CNR1

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