Ethane

Ethane

SCHEMBL11827755

CC.NC(=O)SC(CCc1ccc(-c2ccccc2Cl)cc1)C(=O)O

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.48
▸ HCAR2 Q8TDS4 2/20 0.43
▸ MME P08473 1/20 0.40
▸ BRS3 P32247 1/20 0.39
▸ ITGB1 P05556 4/20 0.38
▸ ITGA4 P13612 4/20 0.38
▸ ITGB7 P26010 4/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ GRM2 Q14416 1/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ FFAR1 O14842 1/20 0.37
▸ PTGER1 P34995 1/20 0.37
▸ PTGER4 P35408 1/20 0.37
▸ PTGER3 P43115 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
SCHEMBL11829318 0.98 MAOB (0.50) MAOBHCAR2MMEBRS3ITGB1
Alcohol SCHEMBL11826938 0.88 MAOB (0.46) MAOBHCAR2MMEBRS3ITGB1
SCHEMBL11834365 0.88 MAOB (0.48) MAOBHCAR2MMEBRS3ITGB1
SCHEMBL11831427 0.88 MAOB (0.47) MAOBHCAR2MMEBRS3ITGB1
Ethane SCHEMBL11827654 0.86 MMP12 (0.49) MMEFFAR1MMP2MMP9MMP12
SCHEMBL11823509 0.86 MAOB (0.45) MAOBHCAR2MMEBRS3ITGB1
SCHEMBL11829300 0.85 MAOB (0.49) MAOBHCAR2MMEBRS3ITGB1
SCHEMBL11827316 0.85 MAOB (0.44) MAOBHCAR2MMEBRS3ITGB1
SCHEMBL11823437 0.84 MAOB (0.46) MAOBHCAR2MMEBRS3ITGB1
SCHEMBL11830406 0.84 HCAR2 (0.44) MAOBHCAR2MMEBRS3FFAR1

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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