SCHEMBL2233839

SCHEMBL2233839

COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)C1c1ccc(C(C)C)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANXA2 P07355 4/20 0.68
S100A10 P60903 4/20 0.68
ALOX15 P16050 4/20 0.54
FPR1 P21462 3/20 0.54
RXFP1 Q9HBX9 3/20 0.54
ALDH1A1 P00352 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HTT P42858 2/20 0.54
HIF1A Q16665 1/20 0.54
KDM4E B2RXH2 3/20 0.49
HPGD P15428 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
PPARG P37231 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
TP53 P04637 2/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL2234193 0.94 ANXA2 (0.67) ANXA2S100A10ALOX15FPR1RXFP1
SCHEMBL2232974 0.82 ANXA2 (0.65) ANXA2S100A10ALDH1A1
SCHEMBL12668752 0.82 PPARG (0.57) ALOX15RXFP1ALDH1A1KDM4EKMT2A
SCHEMBL2303389 0.80 ANXA2 (0.66) ANXA2S100A10ALOX15RXFP1ALDH1A1
SCHEMBL2235370 0.79 ANXA2 (0.53) ANXA2S100A10RXFP1ALDH1A1KDM4E
SCHEMBL681885 0.77 ALDH1A1 (0.53) ANXA2S100A10ALOX15FPR1RXFP1
SCHEMBL2236184 0.75 ANXA2 (0.55) ANXA2S100A10RXFP1HPGDL3MBTL1
SCHEMBL2232358 0.74 CCR1 (0.59) ANXA2S100A10RXFP1ALDH1A1KDM4E
SCHEMBL2234993 0.73 ANXA2 (0.65) ANXA2S100A10ALOX15RXFP1ALDH1A1
SCHEMBL1899963 0.73 PPARG (0.56) ALOX15RXFP1ALDH1A1NPSR1HTT

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