SCHEMBL2299703

SCHEMBL2299703

Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)O)C2c2ccc(Cl)c(C(F)(F)F)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ANXA2 P07355 15/20 0.70
S100A10 P60903 15/20 0.70
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALOX15 P16050 1/20 0.44
ALDH1A1 P00352 1/20 0.41
CCR1 P32246 2/20 0.40
PPARG P37231 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
CCR2 P41597 1/20 0.38

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
SCHEMBL2235286 0.83 ANXA2 (0.67) ANXA2S100A10KMT2AMEN1ALOX15
SCHEMBL2233246 0.82 CCR1 (0.59) ANXA2S100A10KMT2AMEN1ALOX15
SCHEMBL2230926 0.82 ANXA2 (0.66) ANXA2S100A10KMT2AMEN1ALOX15
SCHEMBL2232974 0.81 ANXA2 (0.65) ANXA2S100A10ALDH1A1
SCHEMBL2231482 0.81 ANXA2 (0.58) ANXA2S100A10KMT2AMEN1ALOX15
SCHEMBL2234497 0.80 ANXA2 (0.69) ANXA2S100A10KMT2AMEN1ALOX15
SCHEMBL2232333 0.79 ANXA2 (0.66) ANXA2S100A10KMT2AMEN1ALOX15
SCHEMBL2233884 0.78 ANXA2 (0.67) ANXA2S100A10KMT2AMEN1ALOX15
SCHEMBL2236163 0.78 ANXA2 (0.66) ANXA2S100A10KMT2AMEN1ALOX15
SCHEMBL2236328 0.77 ALDH1A1 (0.66) ANXA2S100A10KMT2AMEN1ALOX15

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