SCHEMBL9520640

SCHEMBL9520640

COCc1cc(CCCOc2ccc(-c3noc(C)n3)cc2C(=O)OC)on1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
HTR1D P28221 5/20 0.40
HTR1B P28222 4/20 0.40
HTR2A P28223 4/20 0.40
TP53 P04637 2/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SLC6A4 P31645 2/20 0.39
S1PR1 P21453 2/20 0.39
CHRM2 P08172 1/20 0.39

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
SCHEMBL9521081 0.82 MAPT (0.41) MAPTTP53MAPK1MEN1ALDH1A1
SCHEMBL9523548 0.81 S1PR1 (0.45) CYP3A4CYP2D6S1PR1
SCHEMBL9521541 0.80 AOC3 (0.43) MAPTALDH1A1CYP3A4CYP2D6HPGD
SCHEMBL9521718 0.76 CYP3A4 (0.55) MAPTHTR1DHTR1BHTR2ATP53
SCHEMBL9520566 0.75 NR1I2 (0.44) MAPTMAPK1CYP3A4CYP2D6HPGD
SCHEMBL9520549 0.73 CYP3A4 (0.51) MAPTHTR1DHTR1BHTR2ATP53
SCHEMBL9521817 0.73 CYP3A4 (0.51) MAPTHTR1DHTR1BHTR2ATP53
SCHEMBL9522218 0.72 MAPT (0.39) MAPTTP53KDM4EMEN1ALDH1A1
SCHEMBL12112418 0.72 PLK1 (0.52) MAPTTP53MAPK1HPGDHTT
SCHEMBL12266918 0.70 PLK1 (0.56) MAPTHTR1DHTR1BHTR2ATP53

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-0523803-A1 1,2,4-Oxadiazolyl-phenoxy-alkylisoxazoles and their use as antiviral agents STERLING WINTHROP INC. (US) 1993-01-20 EP disclosed