SCHEMBL9523316

SCHEMBL9523316

Cc1nc(-c2cc(C)c(OCCCc3cc(C4CC4)no3)c(C)c2)no1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
IGF1R P08069 3/20 0.38
FGFR1 P11362 2/20 0.38
KDR P35968 2/20 0.38
S1PR1 P21453 12/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
S1PR3 Q99500 11/20 0.33
MAPK14 Q16539 2/20 0.33

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
SCHEMBL8137204 0.87 NR1I2 (0.74) NR1I2CYP3A4CYP2D6
SCHEMBL9200266 0.84 NR1I2 (0.73) NR1I2CYP3A4CYP2D6IGF1RFGFR1
SCHEMBL9205929 0.83 NR1I2 (0.57) NR1I2CYP3A4CYP2D6S1PR1L3MBTL1
SCHEMBL9203587 0.82 NR1I2 (0.56) NR1I2CYP3A4CYP2D6S1PR1L3MBTL1
SCHEMBL9521718 0.81 CYP3A4 (0.55) NR1I2CYP3A4CYP2D6S1PR1L3MBTL1
SCHEMBL8136233 0.80 CYP2D6 (0.66) NR1I2CYP3A4CYP2D6L3MBTL1
SCHEMBL9521412 0.80 NR1I2 (0.68) NR1I2CYP3A4CYP2D6S1PR1L3MBTL1
SCHEMBL9202945 0.80 NR1I2 (0.67) NR1I2CYP3A4CYP2D6IGF1RFGFR1
SCHEMBL9520408 0.80 NR1I2 (0.53) NR1I2CYP3A4CYP2D6S1PR1L3MBTL1
SCHEMBL8875601 0.79 CYP2D6 (0.53) NR1I2CYP3A4CYP2D6S1PR1L3MBTL1

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