SCHEMBL11833616

SCHEMBL11833616

O=C(O)C(Cl)CCc1ccccc1-c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.46
▸ KMT2A Q03164 2/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ CXCL8 P10145 3/20 0.39
▸ AKR1C3 P42330 1/20 0.38
▸ AKR1C2 P52895 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ AKR1B10 O60218 1/20 0.37
▸ UGT1A9 O60656 1/20 0.37
▸ TRPA1 O75762 1/20 0.37
▸ ABCB11 O95342 1/20 0.37
▸ MT-CO2 P00403 1/20 0.37
▸ TTR P02766 1/20 0.37
▸ ALB P02768 1/20 0.37
▸ UGT1A6 P19224 1/20 0.37
▸ UGT1A1 P22309 1/20 0.37
▸ PTGS1 P23219 1/20 0.37

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
SCHEMBL11823516 0.82 MAOB (0.54) KMT2AMEN1ALDH1A1NPSR1CYP2A6
SCHEMBL11824543 0.82 KMT2A (0.47) KMT2ASLC6A4SLC6A3PPARGPPARA
SCHEMBL11829514 0.79 ALDH1A1 (0.46) KMT2AALDH1A1
SCHEMBL11836653 0.79 PTGER4 (0.49) KMT2A
SCHEMBL11831432 0.77 DPP4 (0.40) DPP4KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL9890641 0.76 CXCL8 (0.57) DPP4CXCL8AKR1B10UGT1A9TRPA1
SCHEMBL7372199 0.76 PPARG (0.50) KMT2APPARGPPARANPC1RAB9A
SCHEMBL3433828 0.76 PPARG (0.50) KMT2APPARGPPARANPC1RAB9A
SCHEMBL11830140 0.76 PPARG (0.44) KMT2APPARGPPARAPTGS2TAAR1
SCHEMBL27412483 0.75 SLC16A3 (0.43) SLC6A2SLC6A4SLC6A3PPARGPPARA

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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