SCHEMBL11828626

SCHEMBL11828626

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

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 6/20 0.62
▸ MAOB P27338 2/20 0.46
▸ CYP2A6 P11509 1/20 0.46
▸ MMEL1 Q495T6 1/20 0.44
▸ HCAR2 Q8TDS4 2/20 0.44
▸ FFAR1 O14842 1/20 0.43
▸ ITGB1 P05556 1/20 0.42
▸ ITGA4 P13612 1/20 0.42
▸ CPA1 P15085 2/20 0.41
▸ CPB1 P15086 1/20 0.41
▸ CPA3 P15088 1/20 0.41
▸ CPB2 Q96IY4 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ CTSA P10619 1/20 0.41

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
SCHEMBL11824499 0.85 MME (0.62) MMEMAOBCYP2A6MMEL1HCAR2
SCHEMBL11833051 0.84 ABCC4 (0.58) MMEL1FFAR1CPA1CPB1CPA3
SCHEMBL11824831 0.84 CSNK2A1 (0.53) MMEMMP2MMP9
SCHEMBL11844624 0.81 MME (0.46) MMEMAOBMMEL1
SCHEMBL4211652 0.81 GAA (0.63) MMEMAOBCYP2A6HCAR2FFAR1
SCHEMBL6465862 0.81 CPA3 (0.60) FFAR1CPA1CPB1CPA3CPB2
SCHEMBL11827360 0.80 ALDH1A1 (0.53) MMECPA1
SCHEMBL11828028 0.80 MME (0.57) MMEMMEL1FFAR1
SCHEMBL11828631 0.79 DPP4 (0.46) MMECTSA
SCHEMBL11837137 0.79 MME (0.55) MMEMAOBCYP2A6MMEL1HCAR2

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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