SCHEMBL8545930

SCHEMBL8545930

CC1(C)COC(CCc2c(C(=O)c3ccc(Cl)cc3)oc3cc(OCC(N)=O)ccc23)=N1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 2/20 0.40
USP2 O75604 1/20 0.40
THRB P10828 1/20 0.40
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 2/20 0.38
NPSR1 Q6W5P4 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 3/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL8550539 0.84 SLC22A12 (0.41) ALDH1A1HPGDKDM4ECA12CA9
SCHEMBL8548674 0.79 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EHSD17B10USP2
SCHEMBL8548975 0.69 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EHSD17B10USP2
SCHEMBL8549320 0.67 MAPT (0.46) ALDH1A1HPGDKDM4EHSD17B10USP2
SCHEMBL8308344 0.65 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EHSD17B10KMT2A
SCHEMBL12013388 0.65 HTT (0.47) ALDH1A1HPGDKDM4EHSD17B10CA12
SCHEMBL679245 0.65 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EHSD17B10THRB
SCHEMBL8557494 0.65 ALDH1A1 (0.39) ALDH1A1HPGDKDM4ETHRBCA12
SCHEMBL4437800 0.64 ALDH1A1 (0.52) ALDH1A1HPGDKDM4EHSD17B10CA12
SCHEMBL5717683 0.63 ALDH1A1 (0.72) ALDH1A1HPGDKDM4EHSD17B10USP2

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 3 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
US-5504213-A ANTIINFLAMMATORY AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1996-04-02 US disclosed
EP-0623607-A1 Benzofuranyl-and-thiophenyl-alkanecarboxyclic acid derivatives BAYER AG (DE) 1994-11-09 EP disclosed