SCHEMBL9522035

SCHEMBL9522035

C#CCCCOc1c(-c2noc(C)n2)ccc(O)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
HSD17B10 Q99714 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
LMNA P02545 2/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 3/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TSHR P16473 2/20 0.33
RAB9A P51151 2/20 0.33
SCN5A Q14524 1/20 0.33
NPC1 O15118 1/20 0.33
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
AOC3 Q16853 2/20 0.31
ADORA2A P29274 1/20 0.31
CA12 O43570 3/20 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
SCHEMBL9523262 0.81 MAPT (0.35) MAPTHSD17B10ALDH1A1HPGDLMNA
SCHEMBL9523660 0.79 CYP3A4 (0.49) MAPTHSD17B10ALDH1A1HPGDLMNA
SCHEMBL9201638 0.77 NR1I2 (0.46) MAPTHPGDLMNASMN1; SMN2TSHR
SCHEMBL9523473 0.76 NR1I2 (0.38) MAPTHSD17B10ALDH1A1HPGDLMNA
SCHEMBL9521230 0.74 MAPT (0.43) MAPTHSD17B10ALDH1A1HPGDLMNA
SCHEMBL9522122 0.73 AOC3 (0.50) MAPTHSD17B10ALDH1A1HPGDLMNA
SCHEMBL9523124 0.72 CYP3A4 (0.44) MAPTHSD17B10ALDH1A1HPGDLMNA
SCHEMBL9521176 0.72 L3MBTL1 (0.39) MAPTLMNASMN1; SMN2TSHRRAB9A
SCHEMBL9520899 0.72 CYP3A4 (0.44) MAPTHSD17B10ALDH1A1HPGDLMNA
SCHEMBL9520118 0.71 ESR1 (0.47) MAPTHSD17B10ALDH1A1HPGDLMNA

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 disclosed
US-5175177-A 1,2,4-OXADIAZOLYL-PHENOXYALKYLISOXAZOLES AND THEIR USE AS ANTIVIRAL AGENTS STERLING DRUG INC. (US) 1992-12-29 US disclosed