SCHEMBL899336

SCHEMBL899336

CCO/C=C(/C(=O)OC)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1

nearest known ligand 0.82

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPK14 Q16539 3/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPK1 P28482 1/20 0.36
MAP4K4 O95819 1/20 0.36
CYP3A4 P08684 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SYK P43405 1/20 0.35
PIN1 Q13526 1/20 0.35
GAA P10253 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL899339 1.00 ALDH1A1 (0.38) ALDH1A1HPGDTSHRMAPK14NPC1
SCHEMBL12503983 0.90 PIN1 (0.38) ALDH1A1HPGDTSHRMAPK14NPC1
SCHEMBL12503984 0.90 PIN1 (0.38) ALDH1A1HPGDTSHRMAPK14NPC1
Azoxystrobin SCHEMBL4447188 0.90 MAP4K4 (0.38) ALDH1A1HPGDTSHRMAPK14NPC1
Azoxystrobin SCHEMBL18823 0.90 MAP4K4 (0.38) ALDH1A1HPGDTSHRMAPK14NPC1
Azoxystrobin SCHEMBL4113006 0.90 MAP4K4 (0.38) ALDH1A1HPGDTSHRMAPK14NPC1
Azoxystrobin SCHEMBL29362394 0.90 MAP4K4 (0.38) ALDH1A1HPGDTSHRMAPK14NPC1
Azoxystrobin SCHEMBL55087 0.90 MAP4K4 (0.38) ALDH1A1HPGDTSHRMAPK14NPC1
Azoxystrobin SCHEMBL17701154 0.89 MAP4K4 (0.38) ALDH1A1HPGDTSHRMAPK14NPC1
SCHEMBL55086 0.88 MAP4K4 (0.39) ALDH1A1HPGDTSHRMAPK14NPC1

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
US-20150051231-A1 SYNERGISTIC COMBINATIONS OF TRIAZOLES, STROBILURINS AND BENZIMIDAZOLES, USES, FORMULATIONS, PRODUCTION PROCESSES AND APPLICATIONS USING THE SAME FMC QUIMICA DO BRASIL LTDA. (BR) 2015-02-19 US disclosed