SCHEMBL15434126

SCHEMBL15434126

O=C(O)CCc1c(Oc2ccc(OC(F)(F)F)cc2)cccc1Oc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 7/20 0.48
▸ FFAR4 Q5NUL3 3/20 0.47
▸ SLC6A2 P23975 3/20 0.46
▸ SLC6A4 P31645 3/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ EPHX2 P34913 2/20 0.45
▸ LTA4H P09960 1/20 0.45
▸ PPARG P37231 1/20 0.44
▸ PPARD Q03181 1/20 0.44
▸ PPARA Q07869 1/20 0.44
▸ TRPV1 Q8NER1 1/20 0.43
▸ MRGPRX4 Q96LA9 1/20 0.43
▸ LTB4R Q15722 1/20 0.42
▸ PLA2G10 O15496 1/20 0.42
▸ PLA2G2A P14555 1/20 0.42
▸ PLA2G5 P39877 1/20 0.42
▸ PLA2G4A P47712 1/20 0.42
▸ FAAH O00519 1/20 0.42
▸ MAPK14 Q16539 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
SCHEMBL15434147 0.83 FFAR4 (0.49) FFAR1FFAR4EPHX2PPARGPPARA
SCHEMBL20639049 0.81 FFAR1 (0.47) FFAR1FFAR4SLC6A2SLC6A4SLC6A3
SCHEMBL584599 0.78 FFAR1 (0.64) FFAR1FFAR4PLA2G4A
SCHEMBL15434106 0.77 FFAR1 (0.48) FFAR1FFAR4SLC6A2SLC6A4PPARG
SCHEMBL2537453 0.77 FFAR1 (0.48) FFAR1FFAR4SLC6A2SLC6A4SLC6A3
SCHEMBL30784592 0.77 FFAR1 (0.48) FFAR1FFAR4TRPV1
SCHEMBL20641751 0.74 SLC6A2 (0.44) FFAR1FFAR4SLC6A2SLC6A4SLC6A3
SCHEMBL1123025 0.74 FFAR1 (0.67) FFAR1FFAR4PLA2G4A
SCHEMBL9138435 0.74 CTNNB1 (0.51) SLC6A2SLC6A4SLC6A3EPHX2LTA4H
SCHEMBL15429152 0.73 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3

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-8633245-B2 PAI-1 inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2014-01-21 — — US disclosed
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