SCHEMBL2235286

SCHEMBL2235286

Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)O)C2c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ANXA2 P07355 14/20 0.67
S100A10 P60903 14/20 0.67
ALOX15 P16050 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 2/20 0.42
CCR1 P32246 1/20 0.37

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
SCHEMBL2234497 0.84 ANXA2 (0.69) ANXA2S100A10ALOX15MEN1KMT2A
SCHEMBL2230926 0.84 ANXA2 (0.66) ANXA2S100A10ALOX15MEN1KMT2A
SCHEMBL2299703 0.83 ANXA2 (0.70) ANXA2S100A10ALOX15MEN1KMT2A
SCHEMBL2232333 0.83 ANXA2 (0.66) ANXA2S100A10ALOX15MEN1KMT2A
SCHEMBL2231482 0.82 ANXA2 (0.58) ANXA2S100A10ALOX15MEN1KMT2A
SCHEMBL2233272 0.81 CCR1 (0.52) ANXA2S100A10MEN1KMT2AALDH1A1
SCHEMBL2233975 0.81 ANXA2 (0.49) ANXA2S100A10ALOX15MEN1KMT2A
SCHEMBL2232974 0.81 ANXA2 (0.65) ANXA2S100A10ALDH1A1
SCHEMBL2233884 0.80 ANXA2 (0.67) ANXA2S100A10ALOX15MEN1KMT2A
SCHEMBL2233246 0.80 CCR1 (0.59) ANXA2S100A10ALOX15MEN1KMT2A

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