SCHEMBL5509230

SCHEMBL5509230

CCCOc1ccc(CC=O)cc1CCl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
ALDH1A1 P00352 4/20 0.46
POLB P06746 2/20 0.46
GPR55 Q9Y2T6 1/20 0.46
CSNK2A1 P68400 2/20 0.44
GABRA1 P14867 2/20 0.41
GABRB2 P47870 2/20 0.41
CNR2 P34972 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
CNR1 P21554 1/20 0.38
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
PKM P14618 1/20 0.38
THRB P10828 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 4/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37
CASP1 P29466 1/20 0.37

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
SCHEMBL5504133 0.88 ALDH1A1 (0.43) MAPTALDH1A1POLBGABRA1GABRB2
SCHEMBL5518581 0.84 KDM4E (0.39) MAPTALDH1A1POLBCNR2SMN1; SMN2
SCHEMBL1557719 0.81 ALDH1A1 (0.46) ALDH1A1GABRA1GABRB2CNR2PKM
SCHEMBL14143944 0.78 CSNK2A1 (0.50) MAPTALDH1A1POLBCSNK2A1GABRA1
SCHEMBL30902389 0.77 MAPT (0.55) MAPTALDH1A1POLBGPR55L3MBTL1
SCHEMBL5115761 0.76 SMN1; SMN2 (0.64) MAPTALDH1A1POLBSMN1; SMN2L3MBTL1
SCHEMBL5144157 0.74 SMN1; SMN2 (0.62) MAPTALDH1A1CSNK2A1CNR2SMN1; SMN2
SCHEMBL809741 0.74 MAPT (0.47) MAPTALDH1A1POLBGPR55CSNK2A1
SCHEMBL2868462 0.73 CSNK2A1 (0.44) MAPTALDH1A1POLBGPR55CSNK2A1
SCHEMBL9163231 0.73 FDPS (0.50) MAPTALDH1A1SMN1; SMN2GAAL3MBTL1

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
EP-1784182-A1 2-SULFANYL-BENZIMIDAZOL-1-YL-ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2007-05-16 EP disclosed
WO-2006021418-A1 2-SULFANYL-BENZOIMIDAZOL-1-YL-ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-02 WO disclosed