SCHEMBL11830406

SCHEMBL11830406

CCCC(=O)SC(CCc1ccc(-c2ccccc2Cl)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 2/20 0.44
▸ MAOB P27338 2/20 0.43
▸ MME P08473 1/20 0.41
▸ BRS3 P32247 3/20 0.39
▸ HSD11B1 P28845 1/20 0.39
▸ PPARG P37231 2/20 0.39
▸ MMP2 P08253 2/20 0.38
▸ MMP3 P08254 2/20 0.38
▸ FFAR1 O14842 1/20 0.38
▸ LTB4R2 Q9NPC1 2/20 0.38
▸ PTGER1 P34995 1/20 0.38
▸ PTGER4 P35408 1/20 0.38
▸ PTGER3 P43115 1/20 0.38
▸ PTGER2 P43116 1/20 0.38
▸ GSK3A P49840 1/20 0.38
▸ GSK3B P49841 1/20 0.38

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
SCHEMBL11823509 0.91 MAOB (0.45) HCAR2MAOBMMEBRS3HSD11B1
SCHEMBL11831427 0.86 MAOB (0.47) HCAR2MAOBMMEBRS3PPARG
Alcohol SCHEMBL11826938 0.84 MAOB (0.46) HCAR2MAOBMMEBRS3PPARG
Ethane SCHEMBL11827755 0.84 MAOB (0.48) HCAR2MAOBMMEBRS3MMP2
SCHEMBL11829318 0.83 MAOB (0.50) HCAR2MAOBMMEBRS3MMP2
SCHEMBL11822596 0.83 MAOB (0.42) HCAR2MAOBMMEBRS3HSD11B1
SCHEMBL11828270 0.83 MAOB (0.42) HCAR2MAOBMMEBRS3FFAR1
SCHEMBL11827741 0.83 HCAR2 (0.43) HCAR2MAOBMMEBRS3PPARG
SCHEMBL11829300 0.83 MAOB (0.49) HCAR2MAOBMMEBRS3MMP2
SCHEMBL11827316 0.83 MAOB (0.44) HCAR2MAOBMMEBRS3FFAR1

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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