SCHEMBL9707086

SCHEMBL9707086

C[C@@H](Cc1ccc(OC(C)(C)C(=O)O)cc1)NS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.56
MEN1 O00255 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
MAPT P10636 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 1/20 0.56
PPARG P37231 3/20 0.51
PPARD Q03181 3/20 0.51
FABP2 P12104 2/20 0.51
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CNR1 P21554 8/20 0.50
CNR2 P34972 6/20 0.50
SLC22A12 Q96S37 1/20 0.50
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL9303566 1.00 PPARA (0.56) PPARAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL9707057 0.91 CNR1 (0.50) PPARACNR1CNR2POLBTDP1
SCHEMBL9707015 0.90 CNR1 (0.49) PPARACNR1CNR2POLBTDP1
SCHEMBL9707064 0.90 CNR1 (0.49) PPARACNR1CNR2POLBTDP1
SCHEMBL9707068 0.90 CNR1 (0.49) PPARACNR1CNR2POLBTDP1
SCHEMBL9707109 0.90 TDP1 (0.49) PPARAPPARGPPARDALDH1A1POLB
SCHEMBL9707058 0.90 PPARA (0.50) PPARACYP1A2MAPTCYP2C19PPARG
SCHEMBL9707033 0.90 PPARA (0.50) PPARACYP1A2MAPTCYP2C19PPARG
SCHEMBL9707056 0.88 CNR1 (0.47) PPARACNR1CNR2POLBTDP1
SCHEMBL9707049 0.88 CNR1 (0.47) PPARACNR1CNR2POLBTDP1

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
EP-0502498-A1 Phenoxyalkanoic acid derivatives and process for preparation thereof TANABE SEIYAKU CO., LTD. (JP) 1992-09-09 EP disclosed