SCHEMBL9707079

SCHEMBL9707079

CCOC(=O)C(C)(C)Oc1ccc(C[C@H](C)NS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.48
CYP1A2 P05177 2/20 0.48
TSHR P16473 2/20 0.48
ABCB11 O95342 1/20 0.48
CYP3A4 P08684 1/20 0.48
HTR2A P28223 1/20 0.48
PMP22 Q01453 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 4/20 0.43
PPARG P37231 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 1/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 1/20 0.42
CNR1 P21554 3/20 0.41
CNR2 P34972 3/20 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
SCHEMBL9707077 1.00 PPARA (0.48) PPARACYP1A2TSHRABCB11CYP3A4
SCHEMBL9707083 0.90 PPARA (0.61) PPARACYP1A2TSHRABCB11CYP3A4
SCHEMBL9707084 0.90 PPARA (0.61) PPARACYP1A2TSHRABCB11CYP3A4
SCHEMBL9707033 0.88 PPARA (0.50) PPARACYP1A2SMN1; SMN2ALDH1A1PPARG
SCHEMBL9707058 0.88 PPARA (0.50) PPARACYP1A2SMN1; SMN2ALDH1A1PPARG
SCHEMBL9707054 0.85 ALDH1A1 (0.49) PPARACYP1A2SMN1; SMN2ALDH1A1PPARG
SCHEMBL9707059 0.85 ALDH1A1 (0.49) PPARACYP1A2SMN1; SMN2ALDH1A1PPARG
SCHEMBL11342839 0.81 TBXA2R (0.59) PPARACYP1A2TSHRABCB11CYP3A4
SCHEMBL9707109 0.81 TDP1 (0.49) PPARATSHRALDH1A1PPARGPOLB
SCHEMBL9765259 0.81 GAA (0.53) TSHRSMN1; SMN2ALDH1A1POLBKMT2A

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