SCHEMBL2234316

SCHEMBL2234316

Cc1ccc(C(=O)C2=C(O)CN(CCO)C2c2ccc(C(C)C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ANXA2 P07355 9/20 0.53
S100A10 P60903 9/20 0.53
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
MALT1 Q9UDY8 1/20 0.37
USP2 O75604 2/20 0.36
GFER P55789 1/20 0.36
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TP53 P04637 2/20 0.34
DNMT1 P26358 1/20 0.34
SIRT5 Q9NXA8 1/20 0.34
LMNA P02545 1/20 0.33

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 0.78 ANXA2 (0.44) ANXA2S100A10ALDH1A1USP2GFER
SCHEMBL2232974 0.70 ANXA2 (0.65) ANXA2S100A10ALDH1A1MALT1
SCHEMBL2234193 0.70 ANXA2 (0.67) ANXA2S100A10ALDH1A1MALT1USP2
SCHEMBL2235370 0.70 ANXA2 (0.53) ANXA2S100A10ALDH1A1MALT1
SCHEMBL26490140 0.68 ALDH1A1 (0.70) ALDH1A1CNR1CNR2SMN1; SMN2NPSR1
SCHEMBL2233839 0.68 ANXA2 (0.68) ANXA2S100A10ALDH1A1MAPTSMN1; SMN2
SCHEMBL2303389 0.68 ANXA2 (0.66) ANXA2S100A10ALDH1A1MALT1TP53
SCHEMBL12668752 0.67 PPARG (0.57) ALDH1A1POLBMAPT
SCHEMBL2232358 0.67 CCR1 (0.59) ANXA2S100A10ALDH1A1TP53LMNA
SCHEMBL2234313 0.67 ANXA2 (0.45) ANXA2S100A10ALDH1A1POLBMALT1

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