SCHEMBL9520566

SCHEMBL9520566

COCc1cc(CCCOc2c(Cl)cc(-c3noc(C)n3)cc2Cl)on1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
TDP1 Q9NUW8 4/20 0.36
L3MBTL1 Q9Y468 5/20 0.35
MAPT P10636 4/20 0.35
LMNA P02545 3/20 0.35
HTT P42858 1/20 0.35
TSHR P16473 3/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
SLC6A4 P31645 1/20 0.33
NMT1 P30419 1/20 0.33
MAPK1 P28482 2/20 0.32
HPGD P15428 1/20 0.32
SCARB1 Q8WTV0 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
SPHK2 Q9NRA0 1/20 0.30
SPHK1 Q9NYA1 1/20 0.30
S1PR4 O95977 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
SCHEMBL9521718 0.89 CYP3A4 (0.55) NR1I2CYP3A4CYP2D6TDP1L3MBTL1
SCHEMBL9521817 0.85 CYP3A4 (0.51) NR1I2CYP3A4CYP2D6TDP1L3MBTL1
SCHEMBL9520549 0.85 CYP3A4 (0.51) NR1I2CYP3A4CYP2D6TDP1L3MBTL1
SCHEMBL9521541 0.83 AOC3 (0.43) NR1I2CYP3A4CYP2D6TDP1L3MBTL1
SCHEMBL9210194 0.81 NR1I2 (0.53) NR1I2CYP3A4CYP2D6TDP1L3MBTL1
SCHEMBL9520408 0.79 NR1I2 (0.53) NR1I2CYP3A4CYP2D6TDP1L3MBTL1
SCHEMBL9520598 0.78 NR1I2 (0.53) NR1I2CYP3A4CYP2D6TDP1L3MBTL1
SCHEMBL9205929 0.78 NR1I2 (0.57) NR1I2CYP3A4CYP2D6TDP1L3MBTL1
SCHEMBL9203587 0.77 NR1I2 (0.56) NR1I2CYP3A4CYP2D6TDP1L3MBTL1
SCHEMBL8137086 0.76 NR1I2 (0.76) NR1I2CYP3A4CYP2D6HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0523803-A1 1,2,4-Oxadiazolyl-phenoxy-alkylisoxazoles and their use as antiviral agents STERLING WINTHROP INC. (US) 1993-01-20 EP claimed
US-5175177-A 1,2,4-OXADIAZOLYL-PHENOXYALKYLISOXAZOLES AND THEIR USE AS ANTIVIRAL AGENTS STERLING DRUG INC. (US) 1992-12-29 US claimed