SCHEMBL2234313

SCHEMBL2234313

Cc1ccc(C(=O)C2C(O)=CN(CCO)C2c2ccc(C(C)C)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ANXA2 P07355 5/20 0.45
S100A10 P60903 5/20 0.45
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MGLL Q99685 4/20 0.33
SCN5A Q14524 1/20 0.33
SCN2A Q99250 1/20 0.33
USP5 P45974 1/20 0.32
FAAH O00519 1/20 0.31
LMNA P02545 1/20 0.31
MALT1 Q9UDY8 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL2234316 0.67 ANXA2 (0.53) ANXA2S100A10ALDH1A1POLBSMN1; SMN2
P-Cymene SCHEMBL11145451 0.63 ACHE (0.44) ANXA2S100A10SMN1; SMN2RAB9ASCN5A
SCHEMBL26490140 0.62 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2NPSR1SCN5ASCN2A
Terephthalic Acid SCHEMBL15994297 0.61 ALDH1A1 (0.71) ALDH1A1POLBSMN1; SMN2MAPTSCN5A
P-Cymene SCHEMBL10388722 0.60 ACHE (0.42) ANXA2S100A10ALDH1A1SMN1; SMN2NPC1
P-Cymene SCHEMBL2404247 0.60 CYP2C9 (0.52) ALDH1A1POLBSMN1; SMN2MAPTRAB9A
P-Cymene SCHEMBL29129736 0.59 ACHE (0.47) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
P-Cymene SCHEMBL27525277 0.59 CYP2C9 (0.50) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
P-Cymene SCHEMBL27355344 0.58 ACHE (0.47) SCN5ASCN2AUSP5LMNA
P-Cymene SCHEMBL1073347 0.58 ACHE (0.47) SCN5ASCN2AUSP5LMNA

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