SCHEMBL2303389

SCHEMBL2303389

C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)C1c1ccc(C(C)C)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ANXA2 P07355 5/20 0.66
S100A10 P60903 5/20 0.66
MALT1 Q9UDY8 1/20 0.44
CCR1 P32246 4/20 0.44
CCR2 P41597 2/20 0.42
KDM4E B2RXH2 2/20 0.41
RXFP1 Q9HBX9 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.39
MDM2 Q00987 1/20 0.39

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
SCHEMBL2232974 0.84 ANXA2 (0.65) ANXA2S100A10MALT1ALDH1A1
SCHEMBL2235370 0.82 ANXA2 (0.53) ANXA2S100A10MALT1CCR1CCR2
SCHEMBL2234193 0.82 ANXA2 (0.67) ANXA2S100A10MALT1KDM4ERXFP1
SCHEMBL2233839 0.80 ANXA2 (0.68) ANXA2S100A10KDM4ERXFP1TDP1
SCHEMBL12943493 0.77 RXFP1 (0.63) ANXA2S100A10CCR1CCR2KDM4E
SCHEMBL2232358 0.77 CCR1 (0.59) ANXA2S100A10CCR1CCR2KDM4E
SCHEMBL12668752 0.76 PPARG (0.57) KDM4ERXFP1ALDH1A1ALOX15TSHR
SCHEMBL2234993 0.76 ANXA2 (0.65) ANXA2S100A10CCR1CCR2KDM4E
SCHEMBL2304628 0.75 ANXA2 (0.67) ANXA2S100A10CCR1CCR2KDM4E
SCHEMBL2231482 0.75 ANXA2 (0.58) ANXA2S100A10CCR1CCR2RXFP1

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