SCHEMBL6719458

SCHEMBL6719458

CCCCCCCCCCCCOc1ccc(CC(NC(=O)C(=O)O)c2ccc(C(F)(F)F)cc2)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.47
PPARA Q07869 5/20 0.47
PPARD Q03181 3/20 0.44
SLC2A1 P11166 2/20 0.42
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
CYP2C9 P11712 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FAAH O00519 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
FABP4 P15090 5/20 0.39
FABP5 Q01469 5/20 0.39

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
SCHEMBL6023224 0.81 CYSLTR2 (0.38) PPARGPPARACNR2CYP2C9CYP1A2
SCHEMBL5047584 0.80 MEN1 (0.42) PPARGPPARAPPARDSLC2A1CNR1
SCHEMBL1856734 0.77 PPARG (0.41) PPARGPPARAPPARDSLC2A1CNR1
SCHEMBL4319082 0.74 PPARG (0.43) PPARGPPARAPPARDSLC2A1CNR1
SCHEMBL1852713 0.74 ACACB (0.51) FAAH
SCHEMBL6721621 0.74 CYP3A4 (0.40) PPARGPPARACYP2C9CYP1A2CYP3A4
SCHEMBL4978882 0.74 PLK1 (0.47) PPARACYP2C9CYP1A2SMN1; SMN2FAAH
SCHEMBL1853877 0.72 SLC2A1 (0.55) PPARGPPARAPPARDSLC2A1CNR1
SCHEMBL1855967 0.72 SLC2A1 (0.43) PPARGPPARAPPARDSLC2A1CNR1
SCHEMBL1852984 0.71 MLYCD (0.51) PPARGPPARAPPARDCYP2C9CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP claimed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO claimed