SCHEMBL11427396

SCHEMBL11427396

O=C(O)Cc1c(Cl)cccc1Sc1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.56
▸ POLB P06746 1/20 0.50
▸ LMNA P02545 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ AGBL2 Q5U5Z8 1/20 0.46
▸ MAPK1 P28482 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ RHEB Q15382 2/20 0.43
▸ SLC6A9 P48067 3/20 0.43
▸ MMP2 P08253 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP12 P39900 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ EPHX2 P34913 1/20 0.39
▸ GCK P35557 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
SCHEMBL11551886 0.88 AKR1B1 (0.62) AKR1B1POLBLMNAGAACYP2C9
SCHEMBL30733478 0.88 AKR1B1 (0.62) AKR1B1POLBLMNAGAACYP2C9
SCHEMBL11442734 0.86 AKR1B1 (0.53) AKR1B1POLBLMNAGAACYP2C9
SCHEMBL11552428 0.85 AKR1B1 (0.51) AKR1B1POLBLMNAGAACYP2C9
SCHEMBL11430842 0.82 MMP2 (0.63) AKR1B1POLBLMNAGAACYP2C9
SCHEMBL11554657 0.80 AKR1B1 (0.49) AKR1B1POLBLMNAGAACYP2C9
SCHEMBL3640100 0.79 CYP2C9 (0.72) AKR1B1LMNACYP2C9HPGDCYP2C19
SCHEMBL11400370 0.77 AKR1B1 (0.46) AKR1B1POLBLMNAGAACYP2C9
SCHEMBL11759221 0.74 AGBL2 (0.55) AKR1B1CYP2C9HPGDCYP2C19AGBL2
SCHEMBL109215 0.74 AKR1B1 (1.00) AKR1B1LMNAGAACYP2C9CYP2C19

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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