SCHEMBL11442736

SCHEMBL11442736

O=C(O)C(Cl)c1ccccc1Sc1cccc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 10/20 0.45
▸ EPHX1 P07099 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ AGBL2 Q5U5Z8 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ SIRT1 Q96EB6 1/20 0.36
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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 0.85 SIRT1 (0.47) ALDH1A1GLAL3MBTL1CYP2C9HPGD
SCHEMBL11427398 0.84 ALDH1A1 (0.46) SLC6A9ALDH1A1GLAL3MBTL1AGBL2
Oxirane SCHEMBL11442758 0.78 SIRT1 (0.41) ALDH1A1GLAL3MBTL1CYP2C9HPGD
SCHEMBL11552435 0.75 SLC6A2 (0.44) ALDH1A1CYP2C9HPGDCYP2C19SIRT1
SCHEMBL26676266 0.75 SIRT1 (0.51) SLC6A9EPHX1ALDH1A1GLAL3MBTL1
SCHEMBL11430852 0.72 MMP2 (0.60) SLC6A9ALDH1A1PPARGPPARA
SCHEMBL26068033 0.71 SLC6A9 (0.48) SLC6A9EPHX1ALDH1A1GLAL3MBTL1
SCHEMBL11442734 0.71 AKR1B1 (0.53) SLC6A9EPHX1AGBL2CYP2C9HPGD
SCHEMBL4337657 0.71 SLC6A9 (0.43) SLC6A9EPHX1ALDH1A1GLAL3MBTL1
SCHEMBL11554666 0.70 MMP2 (0.49) ALDH1A1CYP2C9HPGDCYP2C19PPARG

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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