SCHEMBL11823591

SCHEMBL11823591

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.47
▸ HCAR2 Q8TDS4 2/20 0.42
▸ FFAR1 O14842 2/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.40
▸ CYP4F2 P78329 1/20 0.40
▸ CYP4A11 Q02928 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ CDC7 O00311 1/20 0.39
▸ DBF4 Q9UBU7 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ HSD11B1 P28845 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TNF P01375 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ CCR6 P51684 1/20 0.39
▸ RUNX1 Q01196 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
SCHEMBL11824134 0.86 MAOB (0.48) MAOBHCAR2FFAR1FFAR4ALDH1A1
SCHEMBL11824437 0.86 MAOB (0.48) MAOBHCAR2FFAR1FFAR4ALDH1A1
SCHEMBL11827746 0.85 MAOB (0.47) MAOBHCAR2FFAR1FFAR4CYP4F2
SCHEMBL11828131 0.85 MAOB (0.50) MAOBHCAR2FFAR1FFAR4ALDH1A1
SCHEMBL11828599 0.81 MAOB (0.43) MAOBHCAR2FFAR1FFAR4ALDH1A1
SCHEMBL13988733 0.81 SMN1; SMN2 (0.55) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL13988740 0.81 SMN1; SMN2 (0.55) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL11837690 0.79 MAOB (0.41) MAOBHCAR2FFAR1FFAR4ALDH1A1
SCHEMBL11830204 0.79 MAOB (0.41) MAOBHCAR2FFAR1FFAR4ALDH1A1
SCHEMBL11842029 0.79 GRM6 (0.41) MAOBALDH1A1HPGDCDC7DBF4

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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