SCHEMBL11827741

SCHEMBL11827741

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 2/20 0.43
▸ MAOB P27338 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ITGB1 P05556 5/20 0.41
▸ ITGA4 P13612 5/20 0.41
▸ ITGB7 P26010 5/20 0.41
▸ MME P08473 2/20 0.40
▸ KCNA3 P22001 1/20 0.38
▸ PPARG P37231 2/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ BRS3 P32247 1/20 0.37

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
SCHEMBL11827638 0.87 MME (0.51) MME
SCHEMBL11823509 0.85 MAOB (0.45) HCAR2MAOBITGB1ITGA4ITGB7
SCHEMBL11831427 0.85 MAOB (0.47) HCAR2MAOBITGB1ITGA4ITGB7
SCHEMBL11828270 0.84 MAOB (0.42) HCAR2MAOBITGB1ITGA4ITGB7
Alcohol SCHEMBL11826938 0.83 MAOB (0.46) HCAR2MAOBITGB1ITGA4ITGB7
SCHEMBL11830406 0.83 HCAR2 (0.44) HCAR2MAOBMMEPPARGBRS3
Ethane SCHEMBL11827755 0.83 MAOB (0.48) HCAR2MAOBITGB1ITGA4ITGB7
SCHEMBL11829318 0.82 MAOB (0.50) HCAR2MAOBITGB1ITGA4ITGB7
SCHEMBL11822596 0.82 MAOB (0.42) HCAR2MAOBITGB1ITGA4ITGB7
SCHEMBL11829300 0.82 MAOB (0.49) HCAR2MAOBITGB1ITGA4ITGB7

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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