SCHEMBL11827308

SCHEMBL11827308

O=C(O)C(S)CCc1ccc(-c2ccccc2Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.53
▸ HCAR2 Q8TDS4 2/20 0.52
▸ MME P08473 3/20 0.49
▸ ACE P12821 1/20 0.49
▸ CPA1 P15085 1/20 0.49
▸ ACE2 Q9BYF1 1/20 0.49
▸ CYP2A6 P11509 1/20 0.44
▸ BRS3 P32247 1/20 0.43
▸ ITGB1 P05556 1/20 0.43
▸ ITGA4 P13612 1/20 0.43
▸ ITGB7 P26010 1/20 0.43
▸ MMP2 P08253 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ MMP12 P39900 1/20 0.42
▸ MMP13 P45452 1/20 0.42
▸ MMP14 P50281 1/20 0.42
▸ FFAR1 O14842 2/20 0.42
▸ PPARG P37231 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ FFAR4 Q5NUL3 1/20 0.41

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
SCHEMBL11823516 0.87 MAOB (0.54) MAOBHCAR2MMECYP2A6BRS3
SCHEMBL11823728 0.84 MAOB (0.54) MAOBHCAR2MMECYP2A6BRS3
SCHEMBL11821854 0.83 MME (0.65) MMEACECPA1ACE2MMP2
SCHEMBL11829300 0.80 MAOB (0.49) MAOBHCAR2MMECYP2A6BRS3
SCHEMBL11827051 0.80 MAOB (0.49) MAOBHCAR2MMECYP2A6BRS3
SCHEMBL11826267 0.80 MAOB (0.49) MAOBHCAR2MMECYP2A6BRS3
SCHEMBL11108501 0.79 ACE (0.55) MMEACECPA1ACE2PPARG
SCHEMBL11830154 0.79 MAOB (0.48) MAOBHCAR2MMECYP2A6BRS3
SCHEMBL11837431 0.78 MAOB (0.47) MAOBHCAR2MMECYP2A6BRS3
SCHEMBL11829318 0.78 MAOB (0.50) MAOBHCAR2MMECYP2A6BRS3

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
Send feedback