SCHEMBL11824437

SCHEMBL11824437

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.48
▸ HCAR2 Q8TDS4 2/20 0.43
▸ FFAR1 O14842 2/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.40
▸ HSD11B1 P28845 1/20 0.40
▸ CDC7 O00311 1/20 0.40
▸ DBF4 Q9UBU7 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TNF P01375 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ CCR6 P51684 1/20 0.40
▸ RUNX1 Q01196 1/20 0.40
▸ CBFB Q13951 1/20 0.40

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
SCHEMBL11824134 0.87 MAOB (0.48) MAOBHCAR2FFAR1FFAR4HSD11B1
SCHEMBL11827746 0.86 MAOB (0.47) MAOBHCAR2FFAR1FFAR4HSD11B1
SCHEMBL11828131 0.86 MAOB (0.50) MAOBHCAR2FFAR1FFAR4HSD11B1
SCHEMBL11823591 0.86 MAOB (0.47) MAOBHCAR2FFAR1FFAR4HSD11B1
SCHEMBL11823728 0.82 MAOB (0.54) MAOBHCAR2FFAR1FFAR4MME
SCHEMBL11828599 0.82 MAOB (0.43) MAOBHCAR2FFAR1FFAR4HSD11B1
SCHEMBL11832645 0.81 MAOB (0.56) MAOBHCAR2FFAR1FFAR4MME
SCHEMBL6049943 0.81 EPHX2 (0.45) EPHX2KDM4EALDH1A1TNFLMNA
SCHEMBL11829433 0.81 MAOB (0.49) MAOBHCAR2FFAR1MMEGRM2
SCHEMBL614649 0.80 SMN1; SMN2 (0.56) ALDH1A1LMNAMAPTSMN1; SMN2

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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