SCHEMBL8548674

SCHEMBL8548674

N#CCCc1c(C(=O)c2ccc(Cl)cc2)oc2cc(OCC(N)=O)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 2/20 0.43
USP2 O75604 1/20 0.43
THRB P10828 1/20 0.42
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NPSR1 Q6W5P4 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 4/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
POLB P06746 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
SCHEMBL8549320 0.86 MAPT (0.46) ALDH1A1KDM4EHPGDHSD17B10USP2
SCHEMBL9000076 0.81 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDTHRBSMN1; SMN2
SCHEMBL8551230 0.81 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDCA12CA9
SCHEMBL8545930 0.79 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDHSD17B10USP2
SCHEMBL8557763 0.76 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDTHRBCA12
SCHEMBL8308344 0.70 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL4437800 0.69 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDHSD17B10CA12
SCHEMBL8548975 0.68 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10USP2
SCHEMBL12013388 0.68 HTT (0.47) ALDH1A1KDM4EHPGDHSD17B10CA12
SCHEMBL679245 0.68 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10THRB

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-0623607-B1 Benzofuranyl-and-thiophenyl-alkanecarboxyclic acid derivatives BAYER AG (DE) 1998-07-15 EP disclosed
EP-0623607-A1 Benzofuranyl-and-thiophenyl-alkanecarboxyclic acid derivatives BAYER AG (DE) 1994-11-09 EP disclosed