SCHEMBL11829433

SCHEMBL11829433

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.49
▸ HCAR2 Q8TDS4 2/20 0.44
▸ MME P08473 1/20 0.40
▸ ITGB1 P05556 1/20 0.40
▸ ITGA4 P13612 1/20 0.40
▸ ITGB7 P26010 1/20 0.40
▸ GRM2 Q14416 1/20 0.40
▸ MMP12 P39900 2/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ MMP14 P50281 1/20 0.40
▸ AOC3 Q16853 1/20 0.39
▸ BRS3 P32247 1/20 0.39
▸ CYP2A6 P11509 1/20 0.38
▸ FFAR1 O14842 1/20 0.37
▸ PTPN5 P54829 1/20 0.37
▸ NR4A1 P22736 1/20 0.37
▸ NR4A2 P43354 1/20 0.37
▸ NR4A3 Q92570 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
SCHEMBL11823728 0.83 MAOB (0.54) MAOBHCAR2MMEITGB1ITGA4
SCHEMBL11832645 0.82 MAOB (0.56) MAOBHCAR2MMEITGB1ITGA4
SCHEMBL11824437 0.81 MAOB (0.48) MAOBHCAR2MMEGRM2MMP12
SCHEMBL11833689 0.80 MAOB (0.47) MAOBHCAR2MMEITGB1ITGA4
SCHEMBL10799345 0.79 MAOB (0.58) MAOBHCAR2MMEGRM2MMP12
SCHEMBL11827316 0.77 MAOB (0.44) MAOBHCAR2MMEITGB1ITGA4
SCHEMBL11838355 0.76 KLRK1 (0.43) MAOBMMEAOC3CYP2A6PTPN5
SCHEMBL11823516 0.75 MAOB (0.54) MAOBHCAR2MMEITGB1ITGA4
SCHEMBL11827308 0.74 MAOB (0.53) MAOBHCAR2MMEITGB1ITGA4
SCHEMBL11829300 0.74 MAOB (0.49) MAOBHCAR2MMEITGB1ITGA4

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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