SCHEMBL11821854

SCHEMBL11821854

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

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 7/20 0.65
▸ ACE P12821 6/20 0.65
▸ CPA1 P15085 6/20 0.65
▸ ACE2 Q9BYF1 6/20 0.65
▸ MMP12 P39900 4/20 0.58
▸ MMP2 P08253 1/20 0.58
▸ MMP9 P14780 1/20 0.58
▸ MMP13 P45452 1/20 0.58
▸ MMP14 P50281 1/20 0.58
▸ 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
▸ FDFT1 P37268 1/20 0.49

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
SCHEMBL11108501 0.89 ACE (0.55) MMEACECPA1ACE2TSHR
SCHEMBL11827308 0.83 MAOB (0.53) MMEACECPA1ACE2MMP12
SCHEMBL11823662 0.82 MMP12 (0.58) MMEACECPA1ACE2MMP12
SCHEMBL16486901 0.79 MMP12 (0.58) MMEACECPA1ACE2MMP12
SCHEMBL27955130 0.79 MMP12 (0.58) MMEACECPA1ACE2MMP12
SCHEMBL11835990 0.79 MMP12 (0.63) MMEACECPA1ACE2MMP12
SCHEMBL11831098 0.79 MMP12 (0.58) MMEACECPA1ACE2MMP12
SCHEMBL11836621 0.79 MMP12 (0.58) MMEACECPA1ACE2MMP12
SCHEMBL19345090 0.79 MMP12 (0.58) MMEACECPA1ACE2MMP12
SCHEMBL19143400 0.78 GRIK1 (0.54) MMEACECPA1ACE2

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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