SCHEMBL8209463

SCHEMBL8209463

C/C=C(/C(=O)O)c1ccccc1COC/C=N/OCCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
AKR1B10 O60218 3/20 0.34
AKR1B1 P15121 3/20 0.34
SCN1A P35498 3/20 0.34
SCN2A Q99250 3/20 0.34
SCN3A Q9NY46 3/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
GLA P06280 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL8200862 0.78 HCAR2 (0.33) HCAR2
SCHEMBL7752757 0.77 CYP1A2 (0.36) ALDH1A1MAPK1HSD17B10TDP1KDM4E
SCHEMBL8213960 0.76 FABP4 (0.39) PPARGPPARAAKR1B10AKR1B1MAOB
SCHEMBL8814593 0.73 ALDH1A1 (0.54) SCN1ASCN2ASCN3AALDH1A1TSHR
SCHEMBL9021457 0.71 HDAC3 (0.40) ALDH1A1TP53HPGDTSHRHIF1A
SCHEMBL9021460 0.71 HDAC3 (0.40) ALDH1A1TP53HPGDTSHRHIF1A
SCHEMBL7751839 0.69 HIF1A (0.36) NPC1ALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL8203374 0.69 ABCC1 (0.35) ALDH1A1HPGDTSHRKDM4EKMT2A
SCHEMBL8209012 0.68 SLC6A2 (0.31) HCAR2
SCHEMBL8207735 0.68 SLC6A2 (0.31) HCAR2

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-1021399-A2 FUNGICIDES WITH HYDROXIMIC AND HYDRAZONIC GROUPS AVENTIS CROPSCIENCE S.A. (FR) 2000-07-26 EP disclosed
WO-1998015512-A2 FUNGICIDES WITH HYDROXIMIC AND HYDRAZONIC GROUPS RHONE POULENC AGROCHIMIE (FR) 1998-04-16 WO disclosed