SCHEMBL11823662

SCHEMBL11823662

O=C(O)C(Cl)CCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MMP12 P39900 8/20 0.58
▸ MMP13 P45452 5/20 0.58
▸ MMP2 P08253 1/20 0.58
▸ MMP9 P14780 1/20 0.58
▸ MMP14 P50281 1/20 0.58
▸ MME P08473 2/20 0.56
▸ FFAR1 O14842 1/20 0.55
▸ ABCC4 O15439 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ PTGS1 P23219 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ ACE P12821 1/20 0.50
▸ CPA1 P15085 1/20 0.50
▸ ACE2 Q9BYF1 1/20 0.50
▸ FDFT1 P37268 2/20 0.49
▸ SRR Q9GZT4 1/20 0.46
▸ PSAT1 Q9Y617 1/20 0.46

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
SCHEMBL7372199 0.89 PPARG (0.50) MMETSHRHTT
SCHEMBL3433828 0.89 PPARG (0.50) MMETSHRHTT
SCHEMBL11824539 0.88 PPARG (0.49) MMP12MMP13MMP2MMP9MMP14
SCHEMBL11828178 0.86 MMP12 (0.55) MMP12MMP13MMP2MMP9MMP14
SCHEMBL11836649 0.86 MAOB (0.55) MMEACE
SCHEMBL11823516 0.84 MAOB (0.54) MMP12MMP13MMP2MMP9MMP14
SCHEMBL11829069 0.82 MMP12 (0.61) MMP12MMP13MMP2MMP9MMP14
SCHEMBL11830559 0.82 MMP12 (0.51) MMP12MMP13MMP2MMP9MMP14
SCHEMBL11821854 0.82 MME (0.65) MMP12MMP13MMP2MMP9MMP14
SCHEMBL9492547 0.81 PPARG (0.51) FFAR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3966801-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1976-06-29 — — US disclosed
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