SCHEMBL11427398

SCHEMBL11427398

O=C(O)C(Cl)c1ccccc1Sc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ GLA P06280 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MAPK1 P28482 1/20 0.43
▸ CYP2C9 P11712 3/20 0.42
▸ CYP2C19 P33261 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ RHEB Q15382 1/20 0.42
▸ AGBL2 Q5U5Z8 1/20 0.42
▸ SLC6A9 P48067 2/20 0.41
▸ MMP2 P08253 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP12 P39900 1/20 0.40
▸ SIRT1 Q96EB6 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ HTR1A P08908 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
SCHEMBL29143247 0.89 SIRT1 (0.47) ALDH1A1GLAL3MBTL1MAPK1CYP2C9
SCHEMBL11442736 0.84 SLC6A9 (0.45) ALDH1A1GLAL3MBTL1MAPK1CYP2C9
SCHEMBL11552435 0.84 SLC6A2 (0.44) ALDH1A1CYP2C9CYP2C19HPGDMMP2
Oxirane SCHEMBL11442758 0.82 SIRT1 (0.41) ALDH1A1GLAL3MBTL1MAPK1CYP2C9
SCHEMBL11430852 0.81 MMP2 (0.60) ALDH1A1SLC6A9MMP2MMP9MMP12
SCHEMBL11554666 0.79 MMP2 (0.49) ALDH1A1CYP2C9CYP2C19HPGDMMP2
SCHEMBL11400372 0.77 MMP2 (0.38) ALDH1A1L3MBTL1CYP2C9CYP2C19HPGD
SCHEMBL10482126 0.72 SIRT1 (0.56) ALDH1A1GLAL3MBTL1MAPK1CYP2C9
SCHEMBL3640100 0.72 CYP2C9 (0.72) ALDH1A1GLAL3MBTL1MAPK1CYP2C9
SCHEMBL30548760 0.72 HTR1A (0.51) ALDH1A1GLAL3MBTL1MAPK1CYP2C9

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
US-4228284-A ANTIINFLAMMATORY AGENTS Nippon Chemiphar Company, Limited (JP) 1980-10-14 — — US disclosed
US-4166127-A ANTIINFLAMMATORY AGENTS NIPPON CHEMIPHAR CO., LTD. (JP) 1979-08-28 — — US disclosed
US-4101667-A ANTIINFLAMMATORY AGENTS NIPPON CHEMIPHAR CO., LTD. (JP) 1978-07-18 — — US disclosed
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