SCHEMBL11828428

SCHEMBL11828428

CCOC(=O)C(C)C(Cl)Cc1ccc(-c2ccccc2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 2/20 0.44
▸ EPHX2 P34913 1/20 0.42
▸ ITGB1 P05556 1/20 0.41
▸ ITGA4 P13612 1/20 0.41
▸ ITGB7 P26010 1/20 0.41
▸ MAOB P27338 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ LTB4R2 Q9NPC1 2/20 0.40
▸ HCAR2 Q8TDS4 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ GPR119 Q8TDV5 1/20 0.39
▸ CDC7 O00311 1/20 0.39
▸ DBF4 Q9UBU7 1/20 0.39
▸ TNF P01375 1/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL11833487 0.85 MME (0.44) MMEEPHX2MAOBKDM4EALDH1A1
SCHEMBL11844624 0.80 MME (0.46) MMEEPHX2MAOBKDM4EALDH1A1
SCHEMBL11834108 0.80 ALDH1A1 (0.40) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL11829151 0.80 ALDH1A1 (0.42) EPHX2KDM4EALDH1A1MAPTHPGD
SCHEMBL11824134 0.79 MAOB (0.48) MMEEPHX2MAOBKDM4EALDH1A1
SCHEMBL11836185 0.78 GRM6 (0.42) MAOBKDM4EALDH1A1MAPTHPGD
SCHEMBL11824437 0.76 MAOB (0.48) MMEEPHX2MAOBKDM4EALDH1A1
SCHEMBL11839428 0.76 MAPT (0.49) MAOBKDM4EALDH1A1MAPTHPGD
SCHEMBL11827746 0.75 MAOB (0.47) MMEEPHX2MAOBKDM4EALDH1A1
SCHEMBL11823591 0.75 MAOB (0.47) MMEEPHX2MAOBKDM4EALDH1A1

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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