SCHEMBL11830211

SCHEMBL11830211

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 2/20 0.41
▸ MAOB P27338 2/20 0.40
▸ BRS3 P32247 1/20 0.37
▸ PPARG P37231 2/20 0.36
▸ ACE P12821 3/20 0.36
▸ FFAR1 O14842 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ CDC7 O00311 1/20 0.35
▸ DBF4 Q9UBU7 1/20 0.35
▸ EPHX2 P34913 1/20 0.35

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
SCHEMBL11830204 0.87 MAOB (0.41) HCAR2MAOBACEFFAR1FFAR4
SCHEMBL11837690 0.87 MAOB (0.41) HCAR2MAOBACEFFAR1FFAR4
SCHEMBL11835187 0.81 KDM4E (0.36) HCAR2CDC7DBF4
SCHEMBL11827746 0.80 MAOB (0.47) HCAR2MAOBBRS3PPARGFFAR1
SCHEMBL11828270 0.80 MAOB (0.42) HCAR2MAOBBRS3FFAR1FFAR4
SCHEMBL11824134 0.79 MAOB (0.48) HCAR2MAOBFFAR1FFAR4CDC7
SCHEMBL11824437 0.79 MAOB (0.48) HCAR2MAOBFFAR1FFAR4CDC7
SCHEMBL11823591 0.78 MAOB (0.47) HCAR2MAOBFFAR1FFAR4CDC7
SCHEMBL11828131 0.78 MAOB (0.50) HCAR2MAOBFFAR1FFAR4CDC7
SCHEMBL11821672 0.75 HCAR2 (0.43) HCAR2MAOBBRS3PPARGFFAR1

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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