SCHEMBL13822277

SCHEMBL13822277

CCCCc1ccccc1-c1ccccc1C(=O)N[C@@H](CCS(=O)(=O)O)C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KCNA5 P22460 11/20 0.38
S1PR2 O95136 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
CLPP Q16740 1/20 0.34

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
SCHEMBL13822597 0.94 KMT2A (0.41) MEN1KMT2AKCNA5CLPP
SCHEMBL13582980 0.92 S1PR2 (0.38) MEN1KMT2AS1PR2S1PR1S1PR3
SCHEMBL13822430 0.92 MEN1 (0.43) MEN1KMT2AKCNA5CLPP
SCHEMBL13583182 0.89 CA2 (0.42) MEN1KMT2AKCNA5S1PR2S1PR1
SCHEMBL13822294 0.86 MEN1 (0.44) MEN1KMT2ACLPP
SCHEMBL13822299 0.85 MEN1 (0.43) MEN1KMT2AKCNA5CLPP
SCHEMBL2326177 0.85 CLPP (0.47) MEN1KMT2ACLPP
SCHEMBL13583285 0.85 SMN1; SMN2 (0.37) MEN1KMT2AKCNA5
SCHEMBL13822285 0.85 TDP1 (0.43) MEN1KMT2A
SCHEMBL13583320 0.85 UTS2R (0.41) MEN1KMT2AKCNA5

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-2524686-B1 PIGMENTATION-PREVENTING OR -AMELIORATING AGENT POLA CHEM IND INC (JP) 2017-06-21 EP disclosed
EP-2524686-A1 PIGMENTATION-PREVENTING OR -AMELIORATING AGENT Pola Chemical Industries Inc. (JP) 2012-11-21 EP disclosed