SCHEMBL9502351

SCHEMBL9502351

CCCCCCCC/C=C\CCCCCCCC(=O)Nc1cc(C(=O)Cl)ccc1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
CNR1 P21554 5/20 0.56
EPHX2 P34913 1/20 0.54
CNR2 P34972 2/20 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
SOAT2 O75908 1/20 0.51
SOAT1 P35610 1/20 0.51
PSMB11 A5LHX3 1/20 0.50
PSMA7 O14818 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
SCHEMBL9502358 1.00 GAA (0.63) GAATDP1L3MBTL1CNR1EPHX2
SCHEMBL9503771 0.93 GAA (0.71) GAATDP1L3MBTL1EPHX2MEN1
SCHEMBL9502155 0.90 GAA (0.64) GAATDP1L3MBTL1CNR1EPHX2
SCHEMBL9503122 0.90 GAA (0.64) GAATDP1L3MBTL1CNR1EPHX2
SCHEMBL9502168 0.90 GAA (0.64) GAATDP1L3MBTL1CNR1EPHX2
SCHEMBL9503127 0.90 GAA (0.64) GAATDP1L3MBTL1CNR1EPHX2
SCHEMBL9503808 0.86 GAA (0.59) GAATDP1L3MBTL1CNR1EPHX2
SCHEMBL9503796 0.86 GAA (0.59) GAATDP1L3MBTL1CNR1EPHX2
SCHEMBL9503820 0.83 GAA (0.73) GAATDP1L3MBTL1EPHX2MEN1
SCHEMBL9505648 0.83 GAA (0.73) GAATDP1L3MBTL1EPHX2MEN1

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