SCHEMBL2232974

SCHEMBL2232974

Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)O)C2c2ccc(C(C)C)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ANXA2 P07355 17/20 0.65
S100A10 P60903 17/20 0.65
ALDH1A1 P00352 1/20 0.49
MALT1 Q9UDY8 1/20 0.46

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
SCHEMBL2234993 0.91 ANXA2 (0.65) ANXA2S100A10ALDH1A1
SCHEMBL2231482 0.91 ANXA2 (0.58) ANXA2S100A10ALDH1A1
SCHEMBL2235370 0.90 ANXA2 (0.53) ANXA2S100A10ALDH1A1MALT1
SCHEMBL2234809 0.90 ANXA2 (0.65) ANXA2S100A10ALDH1A1
SCHEMBL2233843 0.88 ANXA2 (0.66) ANXA2S100A10ALDH1A1
SCHEMBL2233884 0.88 ANXA2 (0.67) ANXA2S100A10ALDH1A1
SCHEMBL2236184 0.88 ANXA2 (0.55) ANXA2S100A10
SCHEMBL2236163 0.88 ANXA2 (0.66) ANXA2S100A10ALDH1A1
SCHEMBL2298299 0.87 ANXA2 (0.67) ANXA2S100A10ALDH1A1
SCHEMBL2236328 0.87 ALDH1A1 (0.66) ANXA2S100A10ALDH1A1

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
WO-2011092505-A1 S100 PROTEIN BINDING INTERACTION INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-08-04 WO disclosed