SCHEMBL2233975

SCHEMBL2233975

Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(C(C)C)cc3)C2c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ANXA2 P07355 4/20 0.49
S100A10 P60903 4/20 0.49
CCR1 P32246 7/20 0.47
RXFP1 Q9HBX9 3/20 0.46
CCR2 P41597 2/20 0.46
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
MAP3K5 Q99683 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
SCHEMBL2232399 0.91 CCR1 (0.54) ANXA2S100A10CCR1RXFP1CCR2
SCHEMBL2233272 0.91 CCR1 (0.52) ANXA2S100A10CCR1RXFP1CCR2
SCHEMBL2301658 0.88 CCR1 (0.54) ANXA2S100A10CCR1RXFP1CCR2
SCHEMBL2232358 0.81 CCR1 (0.59) ANXA2S100A10CCR1RXFP1CCR2
SCHEMBL2235286 0.81 ANXA2 (0.67) ANXA2S100A10CCR1MEN1KMT2A
SCHEMBL6115962 0.79 RXFP1 (0.49) ANXA2S100A10CCR1RXFP1CCR2
SCHEMBL934299 0.77 CCR1 (0.51) ANXA2S100A10CCR1RXFP1CCR2
SCHEMBL12943495 0.74 ALDH1A1 (0.59) ANXA2S100A10CCR1RXFP1CCR2
SCHEMBL934193 0.74 RXFP1 (0.51) ANXA2S100A10RXFP1KDM4EMEN1
SCHEMBL933547 0.74 RXFP1 (0.51) ANXA2S100A10RXFP1KDM4EMEN1

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