SCHEMBL9503808

SCHEMBL9503808

CCCCCCCCC=CCCCCCCCC(=O)Nc1cc(C(=O)NCCCC)ccc1OC

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
EPHX2 P34913 1/20 0.54
CNR1 P21554 4/20 0.53
TRPV1 Q8NER1 3/20 0.52
MEN1 O00255 1/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
MTOR P42345 1/20 0.52
KMT2A Q03164 1/20 0.52
POLB P06746 1/20 0.51
CNR2 P34972 1/20 0.50
SMPD1 P17405 1/20 0.50

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
SCHEMBL9503796 1.00 GAA (0.59) GAATDP1L3MBTL1EPHX2CNR1
SCHEMBL9505521 0.94 GAA (0.67) GAATDP1L3MBTL1EPHX2CYP1A2
SCHEMBL9502190 0.87 GAA (0.64) GAATDP1L3MBTL1EPHX2TP53
SCHEMBL9503127 0.87 GAA (0.64) GAATDP1L3MBTL1EPHX2CNR1
SCHEMBL9502168 0.87 GAA (0.64) GAATDP1L3MBTL1EPHX2CNR1
SCHEMBL9502155 0.87 GAA (0.64) GAATDP1L3MBTL1EPHX2CNR1
SCHEMBL9503122 0.87 GAA (0.64) GAATDP1L3MBTL1EPHX2CNR1
SCHEMBL9502358 0.86 GAA (0.63) GAATDP1L3MBTL1EPHX2CNR1
SCHEMBL9502351 0.86 GAA (0.63) GAATDP1L3MBTL1EPHX2CNR1
SCHEMBL9505430 0.84 ACAT1 (0.62) CNR1CYP1A2CYP2D6MAPTHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0543865-A1 BENZAMIDE DERIVATIVES RHONE-POULENC RORER LIMITED (GB) 1993-06-02 EP disclosed
WO-1992003412-A2 BENZAMIDE DERIVATIVES RHONE-POULENC RORER LIMITED (GB) 1992-03-05 WO disclosed