SCHEMBL11828631

SCHEMBL11828631

O=C(O)CC(Cl)Cc1ccccc1-c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.46
▸ KMT2A Q03164 1/20 0.42
▸ MME P08473 1/20 0.42
▸ CXCL8 P10145 3/20 0.42
▸ AKR1B10 O60218 1/20 0.40
▸ UGT1A9 O60656 1/20 0.40
▸ TRPA1 O75762 1/20 0.40
▸ ABCB11 O95342 1/20 0.40
▸ MT-CO2 P00403 1/20 0.40
▸ TTR P02766 1/20 0.40
▸ ALB P02768 1/20 0.40
▸ UGT1A6 P19224 1/20 0.40
▸ UGT1A1 P22309 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ CXCR1 P25024 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ AGTR2 P50052 1/20 0.40
▸ NR1I3 Q14994 1/20 0.40
▸ SLC22A6 Q4U2R8 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
SCHEMBL11828037 0.82 KMT2A (0.51) KMT2AMMEKDM4E
SCHEMBL9890641 0.80 CXCL8 (0.57) DPP4CXCL8AKR1B10UGT1A9TRPA1
SCHEMBL11828626 0.79 MME (0.62) MMECTSA
SCHEMBL11827363 0.79 TSHR (0.48) KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL11827466 0.79 CHRM1 (0.48) KMT2AMMEPTGS2CTSA
SCHEMBL11837145 0.77 DPP4 (0.40) DPP4KMT2AMMECXCL8CTSA
SCHEMBL11836998 0.76 PPARG (0.48) DPP4KMT2APTGS2AKR1B1KDM4E
SCHEMBL11828598 0.73 MME (0.51) MMEPTGS1CTSA
SCHEMBL6465862 0.72 CPA3 (0.60) TRPA1PTGS1AKR1B1
SCHEMBL11833616 0.72 DPP4 (0.46) DPP4KMT2ACXCL8AKR1B10UGT1A9

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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