SCHEMBL11836649

SCHEMBL11836649

O=C(O)C(Cl)CCc1ccc(-c2cccc(Cl)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.55
▸ TAAR1 Q96RJ0 2/20 0.51
▸ MME P08473 8/20 0.50
▸ ACE P12821 4/20 0.50
▸ HCAR2 Q8TDS4 1/20 0.50
▸ MMEL1 Q495T6 4/20 0.48
▸ ADRB3 P13945 2/20 0.46
▸ ADRB1 P08588 1/20 0.46

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
SCHEMBL11823662 0.86 MMP12 (0.58) MMEACE
SCHEMBL11824539 0.85 PPARG (0.49) MAOBMME
Hydrochloric Acid SCHEMBL1912603 0.83 MAOB (0.58) MAOBTAAR1MMEACEHCAR2
SCHEMBL9392693 0.83 KMT2A (0.50) TAAR1
SCHEMBL11836653 0.81 PTGER4 (0.49) —
SCHEMBL9492547 0.80 PPARG (0.51) TAAR1
SCHEMBL4201881 0.79 ABCC4 (0.67) MAOBTAAR1MMEACEMMEL1
SCHEMBL11918359 0.78 MME (0.67) MAOBTAAR1MMEACEMMEL1
SCHEMBL6903404 0.78 MME (0.67) MAOBTAAR1MMEACEMMEL1
SCHEMBL11830344 0.77 MME (0.49) MMEACE

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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