SCHEMBL9203587

SCHEMBL9203587

CCCc1cc(CCCOc2c(C)cc(-c3noc(C)n3)cc2C)on1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
PPARA Q07869 1/20 0.36
SCARB1 Q8WTV0 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
S1PR1 P21453 10/20 0.35
S1PR3 Q99500 9/20 0.35
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL9205929 0.92 NR1I2 (0.57) NR1I2CYP3A4CYP2D6SCARB1L3MBTL1
SCHEMBL9520408 0.88 NR1I2 (0.53) NR1I2CYP3A4CYP2D6PPARASCARB1
SCHEMBL9521718 0.88 CYP3A4 (0.55) NR1I2CYP3A4CYP2D6SCARB1L3MBTL1
SCHEMBL9200266 0.86 NR1I2 (0.73) NR1I2CYP3A4CYP2D6SCARB1L3MBTL1
SCHEMBL9201720 0.84 CYP3A4 (0.52) NR1I2CYP3A4CYP2D6PPARASCARB1
SCHEMBL9520549 0.84 CYP3A4 (0.51) NR1I2CYP3A4CYP2D6PPARASCARB1
SCHEMBL9521817 0.84 CYP3A4 (0.51) NR1I2CYP3A4CYP2D6PPARASCARB1
SCHEMBL9523316 0.82 NR1I2 (0.54) NR1I2CYP3A4CYP2D6L3MBTL1S1PR1
SCHEMBL9200238 0.82 NR1I2 (0.48) NR1I2CYP3A4CYP2D6PPARASCARB1
SCHEMBL9521412 0.82 NR1I2 (0.68) NR1I2CYP3A4CYP2D6SCARB1L3MBTL1

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 3 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