SCHEMBL2295548

SCHEMBL2295548

CCCc1ccc(C2C(C(=O)c3ccc(C)cc3)=C(O)CN2CC(C)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ANXA2 P07355 11/20 0.55
S100A10 P60903 11/20 0.55
ALDH1A1 P00352 1/20 0.38
CNR2 P34972 1/20 0.35
MEN1 O00255 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CCR1 P32246 1/20 0.33
PLK1 P53350 1/20 0.33
TP53 P04637 1/20 0.33
MDM2 Q00987 1/20 0.33
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL2234748 0.86 ANXA2 (0.44) ANXA2S100A10ALDH1A1L3MBTL1CCR1
SCHEMBL2234316 0.73 ANXA2 (0.53) ANXA2S100A10ALDH1A1CNR2TP53
SCHEMBL2236163 0.71 ANXA2 (0.66) ANXA2S100A10ALDH1A1MEN1ALOX15
SCHEMBL27449104 0.69 ALDH1A1 (0.64) ALDH1A1CNR2KMT2AGAAL3MBTL1
SCHEMBL2231482 0.67 ANXA2 (0.58) ANXA2S100A10ALDH1A1MEN1ALOX15
SCHEMBL2232974 0.65 ANXA2 (0.65) ANXA2S100A10ALDH1A1
SCHEMBL14098923 0.64 KMT2A (0.61) ALDH1A1MEN1KMT2AGAAL3MBTL1
SCHEMBL2232333 0.64 ANXA2 (0.66) ANXA2S100A10ALDH1A1MEN1ALOX15
SCHEMBL2236328 0.64 ALDH1A1 (0.66) ANXA2S100A10ALDH1A1MEN1ALOX15
SCHEMBL9861628 0.63 PLK1 (0.64) ALDH1A1CNR2KMT2AGAAL3MBTL1

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