SCHEMBL9506274

SCHEMBL9506274

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

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
EPHX2 P34913 1/20 0.47
SMPD1 P17405 5/20 0.46
HDAC1 Q13547 4/20 0.46
HDAC6 Q9UBN7 4/20 0.46
HDAC4 P56524 3/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL9505521 0.86 GAA (0.67) GAATDP1L3MBTL1EPHX2SMPD1
SCHEMBL9502190 0.84 GAA (0.64) GAATDP1L3MBTL1EPHX2SMPD1
SCHEMBL9503796 0.82 GAA (0.59) GAATDP1L3MBTL1EPHX2SMPD1
SCHEMBL9503808 0.82 GAA (0.59) GAATDP1L3MBTL1EPHX2SMPD1
SCHEMBL9505648 0.81 GAA (0.73) GAATDP1L3MBTL1EPHX2HDAC1
SCHEMBL9503820 0.81 GAA (0.73) GAATDP1L3MBTL1EPHX2HDAC1
SCHEMBL9503771 0.80 GAA (0.71) GAATDP1L3MBTL1EPHX2HDAC1
SCHEMBL9506191 0.80 GAA (0.71) GAATDP1L3MBTL1EPHX2HDAC1
SCHEMBL9506185 0.79 GAA (0.70) GAATDP1L3MBTL1EPHX2HDAC1
SCHEMBL9502168 0.78 GAA (0.64) GAATDP1L3MBTL1EPHX2CYP1A2

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