SCHEMBL9505648

SCHEMBL9505648

CCCCCCCCCCCCCCCC(=O)Nc1cc(C(=O)OC)ccc1OC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.73
TDP1 Q9NUW8 1/20 0.73
L3MBTL1 Q9Y468 1/20 0.73
MGLL Q99685 1/20 0.55
ALDH1A1 P00352 2/20 0.55
EPHX2 P34913 1/20 0.52
HDAC4 P56524 4/20 0.51
HDAC1 Q13547 4/20 0.51
HDAC6 Q9UBN7 4/20 0.51
HDAC3 O15379 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51
HDAC5 Q9UQL6 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL9503122 0.93 GAA (0.64) GAATDP1L3MBTL1EPHX2HPGD
SCHEMBL9503127 0.93 GAA (0.64) GAATDP1L3MBTL1EPHX2HPGD
SCHEMBL9503820 0.90 GAA (0.73) GAATDP1L3MBTL1EPHX2HDAC4
SCHEMBL9506191 0.89 GAA (0.71) GAATDP1L3MBTL1EPHX2HDAC4
SCHEMBL9503771 0.89 GAA (0.71) GAATDP1L3MBTL1EPHX2HDAC4
SCHEMBL9506185 0.88 GAA (0.70) GAATDP1L3MBTL1ALDH1A1EPHX2
SCHEMBL5461333 0.87 L3MBTL1 (0.56) GAATDP1L3MBTL1MGLLALDH1A1
SCHEMBL14452370 0.86 GAA (0.74) GAATDP1L3MBTL1ALDH1A1EPHX2
SCHEMBL9505521 0.85 GAA (0.67) GAATDP1L3MBTL1ALDH1A1EPHX2
SCHEMBL11504381 0.84 GAA (0.76) GAATDP1L3MBTL1ALDH1A1EPHX2

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