SCHEMBL2233246

SCHEMBL2233246

Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)O)C2c2cccc(Cl)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.59
ANXA2 P07355 10/20 0.55
S100A10 P60903 10/20 0.55
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
ALOX15 P16050 2/20 0.52
RXFP1 Q9HBX9 3/20 0.50
ALDH1A1 P00352 4/20 0.46
PKM P14618 1/20 0.46
KDM4E B2RXH2 2/20 0.43
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL2230926 0.91 ANXA2 (0.66) CCR1ANXA2S100A10KMT2AMEN1
SCHEMBL2233884 0.89 ANXA2 (0.67) CCR1ANXA2S100A10KMT2AMEN1
SCHEMBL2232974 0.84 ANXA2 (0.65) ANXA2S100A10ALDH1A1
SCHEMBL2231482 0.83 ANXA2 (0.58) CCR1ANXA2S100A10KMT2AMEN1
SCHEMBL2299703 0.82 ANXA2 (0.70) CCR1ANXA2S100A10KMT2AMEN1
SCHEMBL2236163 0.81 ANXA2 (0.66) CCR1ANXA2S100A10KMT2AMEN1
SCHEMBL2232333 0.80 ANXA2 (0.66) CCR1ANXA2S100A10KMT2AMEN1
SCHEMBL2236328 0.80 ALDH1A1 (0.66) CCR1ANXA2S100A10KMT2AMEN1
SCHEMBL2233843 0.79 ANXA2 (0.66) ANXA2S100A10KMT2AMEN1ALOX15
SCHEMBL2234993 0.79 ANXA2 (0.65) CCR1ANXA2S100A10KMT2AMEN1

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