SCHEMBL11829069

SCHEMBL11829069

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

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MMP12 P39900 4/20 0.61
▸ MMP2 P08253 1/20 0.51
▸ MMP9 P14780 1/20 0.51
▸ MMP13 P45452 1/20 0.51
▸ MMP14 P50281 1/20 0.51
▸ MME P08473 2/20 0.50
▸ ACE P12821 1/20 0.48
▸ CPA1 P15085 1/20 0.48
▸ ACE2 Q9BYF1 1/20 0.48
▸ FFAR1 O14842 1/20 0.47
▸ TSHR P16473 2/20 0.46
▸ ABCC4 O15439 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ HDAC1 Q13547 4/20 0.45
▸ HDAC6 Q9UBN7 4/20 0.45
▸ MMP3 P08254 1/20 0.45

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
SCHEMBL29223822 0.91 TSHR (0.54) MMP12TSHRHTT
SCHEMBL11827662 0.87 MMP12 (0.56) MMP12MMP2MMP9MMP13MMP14
SCHEMBL11829944 0.84 MMP12 (0.52) MMP12MMP2MMP9MMP13MMP14
SCHEMBL11823662 0.82 MMP12 (0.58) MMP12MMP2MMP9MMP13MMP14
SCHEMBL11828178 0.80 MMP12 (0.55) MMP12MMP2MMP9MMP13MMP14
SCHEMBL11830559 0.79 MMP12 (0.51) MMP12MMP2MMP9MMP13MMP14
SCHEMBL1860059 0.78 MMP12 (0.53) MMP12MMP2MMP9MMP13MMP14
SCHEMBL12894132 0.78 MMP12 (0.53) MMP12MMP2MMP9MMP13MMP14
SCHEMBL28910710 0.78 MMP12 (0.52) MMP12MMP2MMP9MMP13MMP14
SCHEMBL11825811 0.77 MEN1 (0.51) MMP12MMP2MMP9MMP13MMP14

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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