SCHEMBL9206575

SCHEMBL9206575

Cc1cc(C(N)=O)cc(C)c1OCCCCCc1cc(CO)no1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.41
CYP2D6 P10635 2/20 0.39
NR1I2 O75469 1/20 0.39
CYP3A4 P08684 1/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PLAU P00749 1/20 0.31
HDAC6 Q9UBN7 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
SIRT3 Q9NTG7 1/20 0.30

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
SCHEMBL9209889 0.90 PPARA (0.44) PPARACYP2D6NR1I2CYP3A4THRA
SCHEMBL9202726 0.87 CYP2D6 (0.51) PPARACYP2D6NR1I2CYP3A4THRA
SCHEMBL9207015 0.86 NR1I2 (0.43) PPARACYP2D6NR1I2CYP3A4THRA
SCHEMBL9844935 0.85 PPARA (0.37) PPARACYP2D6NR1I2CYP3A4THRA
SCHEMBL9203609 0.84 PPARA (0.38) PPARACYP2D6NR1I2CYP3A4THRA
SCHEMBL9201165 0.82 CYP2D6 (0.56) CYP2D6NR1I2CYP3A4THRATHRB
SCHEMBL9205000 0.81 NR1I2 (0.38) PPARACYP2D6NR1I2CYP3A4MEN1
SCHEMBL9201720 0.80 CYP3A4 (0.52) PPARACYP2D6NR1I2CYP3A4MEN1
SCHEMBL9207040 0.78 NR1I2 (0.44) PPARACYP2D6NR1I2CYP3A4
SCHEMBL9201818 0.77 NR1I2 (0.39) PPARACYP2D6NR1I2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0413289-B1 Oxadiazolyl-phenoxyalkylisoxazoles and their use as antiviral agents STERLING WINTHROP INC (US) 1995-02-01 EP disclosed
US-5175178-A 1,2,4-oxadiazolyl-phenoxyalkylisoxazoles and their use as antiviral agents STERLING DRUG INC. (US) 1992-12-29 US disclosed
EP-0413289-A2 Oxadiazolyl-phenoxyalkylisoxazoles and their use as antiviral agents STERLING WINTHROP INC. (US) 1991-02-20 EP disclosed
US-4942241-A PICORNAVIRUS INCLUDING RHINOVIRUS STERLING DRUG INC. (US) 1990-07-17 US disclosed