SCHEMBL11830559

SCHEMBL11830559

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

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MMP12 P39900 4/20 0.51
▸ MMP2 P08253 1/20 0.51
▸ MMP9 P14780 1/20 0.51
▸ MMP13 P45452 1/20 0.51
▸ MMP14 P50281 1/20 0.51
▸ FFAR1 O14842 1/20 0.47
▸ MME P08473 2/20 0.47
▸ ABCC4 O15439 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ FDFT1 P37268 2/20 0.43
▸ SLC13A5 Q86YT5 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.42
▸ ACE P12821 1/20 0.42
▸ CPA1 P15085 1/20 0.42
▸ ACE2 Q9BYF1 1/20 0.42

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
SCHEMBL11823662 0.82 MMP12 (0.58) MMP12MMP2MMP9MMP13MMP14
SCHEMBL11828178 0.80 MMP12 (0.55) MMP12MMP2MMP9MMP13MMP14
SCHEMBL11829069 0.79 MMP12 (0.61) MMP12MMP2MMP9MMP13MMP14
SCHEMBL11827662 0.78 MMP12 (0.56) MMP12MMP2MMP9MMP13MMP14
SCHEMBL11828864 0.77 MMP12 (0.47) MMP12MMP2MMP9MMP13MMP14
SCHEMBL1818244 0.77 TSHR (0.43) LMNATSHRHTT
SCHEMBL11838769 0.75 MMP12 (0.54) MMP12MMP2MMP9MMP13MMP14
SCHEMBL11829944 0.75 MMP12 (0.52) MMP12MMP2MMP9MMP13MMP14
SCHEMBL425971 0.73 MMP12 (0.59) MMP12MMP2MMP9MMP13MMP14
SCHEMBL7509128 0.73 HPGD (0.59) MMP9MMP14FFAR1MMELMNA

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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