SCHEMBL9707084

SCHEMBL9707084

CCOC(=O)C(C)(C)Oc1ccc(C[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.61
ABCB11 O95342 2/20 0.61
CYP1A2 P05177 2/20 0.61
CYP3A4 P08684 2/20 0.61
TSHR P16473 2/20 0.61
HTR2A P28223 2/20 0.61
PMP22 Q01453 2/20 0.61
OPRK1 P41145 1/20 0.48
CNR1 P21554 10/20 0.47
CNR2 P34972 6/20 0.47
TDP1 Q9NUW8 2/20 0.47
POLB P06746 2/20 0.47
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
ADRB3 P13945 1/20 0.42

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
SCHEMBL9707083 1.00 PPARA (0.61) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL9707077 0.90 PPARA (0.48) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL9707079 0.90 PPARA (0.48) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL9707057 0.87 CNR1 (0.50) PPARACNR1CNR2TDP1POLB
SCHEMBL9707086 0.87 PPARA (0.56) PPARACYP1A2CYP3A4CNR1CNR2
SCHEMBL9303566 0.87 PPARA (0.56) PPARACYP1A2CYP3A4CNR1CNR2
SCHEMBL9707015 0.86 CNR1 (0.49) PPARACNR1CNR2TDP1POLB
SCHEMBL9707068 0.86 CNR1 (0.49) PPARACNR1CNR2TDP1POLB
SCHEMBL9707064 0.86 CNR1 (0.49) PPARACNR1CNR2TDP1POLB
SCHEMBL9707056 0.84 CNR1 (0.47) PPARACNR1CNR2TDP1POLB

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