SCHEMBL9506191

SCHEMBL9506191

CCCCCCCCCCCCCCCC(=O)Nc1cc(C(=O)O)ccc1OC.[NaH]

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
L3MBTL1 Q9Y468 1/20 0.71
LTB4R Q15722 2/20 0.60
HDAC4 P56524 4/20 0.53
HDAC1 Q13547 4/20 0.53
HDAC6 Q9UBN7 4/20 0.53
HDAC3 O15379 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53
POLB P06746 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
EPHX2 P34913 1/20 0.51
S1PR3 Q99500 1/20 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
SCHEMBL9503820 0.99 GAA (0.73) GAATDP1L3MBTL1LTB4RHDAC4
SCHEMBL9502168 0.92 GAA (0.64) GAATDP1L3MBTL1LTB4RMEN1
SCHEMBL9502155 0.92 GAA (0.64) GAATDP1L3MBTL1LTB4RMEN1
SCHEMBL9505648 0.89 GAA (0.73) GAATDP1L3MBTL1HDAC4HDAC1
SCHEMBL10824168 0.89 L3MBTL1 (0.60) GAATDP1L3MBTL1LTB4RHDAC4
SCHEMBL9503771 0.88 GAA (0.71) GAATDP1L3MBTL1LTB4RHDAC4
SCHEMBL27643987 0.87 L3MBTL1 (0.60) GAATDP1L3MBTL1LTB4RHDAC4
SCHEMBL9506185 0.86 GAA (0.70) GAATDP1L3MBTL1LTB4RHDAC4
SCHEMBL21665117 0.86 LTB4R (0.63) GAATDP1L3MBTL1LTB4RHDAC4
SCHEMBL14429901 0.84 S1PR3 (0.64) GAATDP1L3MBTL1LTB4RPOLB

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