SCHEMBL11829478

SCHEMBL11829478

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

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MMP12 P39900 7/20 0.53
▸ MMP13 P45452 4/20 0.53
▸ MMP2 P08253 1/20 0.53
▸ MMP9 P14780 1/20 0.53
▸ MMP14 P50281 1/20 0.53
▸ MME P08473 2/20 0.51
▸ FFAR1 O14842 1/20 0.49
▸ SLC6A2 P23975 1/20 0.47
▸ ACE P12821 1/20 0.46
▸ CPA1 P15085 1/20 0.46
▸ ACE2 Q9BYF1 1/20 0.46
▸ MMP8 P22894 1/20 0.46
▸ FDFT1 P37268 1/20 0.44

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
SCHEMBL5990 0.88 MMP2 (0.43) MMP12MMP13MMP2MMP9MMP14
SCHEMBL10157 0.88 MMP12 (0.50) MMP12MMP13MMP2MMP9MMP14
SCHEMBL11823337 0.86 MMP12 (0.54) MMP12MMP13MMP2MMP9MMP14
SCHEMBL11830154 0.85 MAOB (0.48) MME
SCHEMBL11837469 0.84 MMP12 (0.53) MMP12MMP13MMP2MMP9MMP14
SCHEMBL17921153 0.81 FDFT1 (0.49) MMP12MMP13MMP2MMP9MMP14
SCHEMBL17921148 0.80 HDAC2 (0.47) MMP12MMP13MMP2MMP9MMP14
SCHEMBL17921177 0.79 HDAC2 (0.48) MMP12MMP13MMP2MMP9MMP14
SCHEMBL16511768 0.77 HDAC2 (0.51) MMP12MMP13MMP2MMP9SLC6A2
SCHEMBL16486901 0.77 MMP12 (0.58) MMP12MMP13MMP2MMP9MMP14

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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