SCHEMBL9506416

SCHEMBL9506416

CCCCCCCCCCOc1ccc(C(=O)Nc2cc(C(=O)OCC=C(C)C)ccc2OCC)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.49
ACAT1 P24752 1/20 0.48
CREBBP Q92793 4/20 0.48
HDAC1 Q13547 4/20 0.48
HDAC8 Q9BY41 4/20 0.48
HDAC6 Q9UBN7 4/20 0.48
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
NR1H4 Q96RI1 2/20 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
SCHEMBL9502502 0.93 HDAC1 (0.53) PLK1ACAT1HDAC1HDAC8HDAC6
SCHEMBL9503223 0.89 PLK1 (0.58) PLK1ACAT1CREBBPHDAC1HDAC8
SCHEMBL9505673 0.86 ACAT1 (0.67) PLK1ACAT1MAPTTSHRMAPK1
SCHEMBL9366112 0.86 ACAT1 (0.56) PLK1ACAT1CREBBPHDAC1HDAC8
SCHEMBL9365159 0.82 CREBBP (0.65) PLK1ACAT1CREBBPHDAC1HDAC8
SCHEMBL9365185 0.81 ACAT1 (0.62) PLK1ACAT1CREBBPHDAC1HDAC8
SCHEMBL9362195 0.80 ACAT1 (0.73) PLK1ACAT1CREBBPHDAC1HDAC8
SCHEMBL9502439 0.79 MAPT (0.62) PLK1ACAT1HDAC1HDAC8HDAC6
SCHEMBL9365907 0.79 ACAT1 (0.64) PLK1ACAT1CREBBPHDAC1HDAC8
SCHEMBL9505696 0.77 ACAT1 (0.62) PLK1ACAT1MAPTTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0543884-A1 BENZANILIDE DERIVATIVES AND THEIR USE AS ANTI-ATHEROSCLEROTIC AGENTS RHONE-POULENC RORER LIMITED (GB) 1993-06-02 EP disclosed