SCHEMBL9752017

SCHEMBL9752017

Oc1ccccc1Cc1ncccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
HSPA5 P11021 1/20 0.58
KDM4E B2RXH2 2/20 0.53
HPGD P15428 1/20 0.47
KEAP1 Q14145 1/20 0.47
HIF1A Q16665 2/20 0.46
CYP2C19 P33261 1/20 0.46
CASP6 P55212 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.44
NSD2 O96028 1/20 0.44
MAPT P10636 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 2/20 0.42
CYP2D6 P10635 1/20 0.42
KDM1A O60341 1/20 0.42
CHRM1 P11229 2/20 0.41
CHRM2 P08172 1/20 0.41

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
SCHEMBL1973913 0.80 KDM4E (0.68) ALDH1A1L3MBTL1KDM4EHIF1ACYP2C19
SCHEMBL8745956 0.79 HSPA5 (0.62) ALDH1A1L3MBTL1HSPA5KDM4EHPGD
SCHEMBL28255291 0.78 L3MBTL1 (0.57) ALDH1A1L3MBTL1KDM4EHIF1ACYP2C19
Hydrochloric Acid SCHEMBL31388648 0.78 KDM4E (0.71) ALDH1A1L3MBTL1KDM4EHPGDHIF1A
SCHEMBL27460114 0.77 HSPA5 (0.59) ALDH1A1L3MBTL1HSPA5KDM4EHPGD
SCHEMBL21387079 0.77 HSPA5 (0.59) ALDH1A1L3MBTL1HSPA5KDM4EHPGD
SCHEMBL2750237 0.76 HSPA5 (0.58) ALDH1A1L3MBTL1HSPA5HPGDKEAP1
SCHEMBL49745 0.75 HSPA5 (1.00) ALDH1A1L3MBTL1HSPA5KDM4EHPGD
SCHEMBL29357407 0.75 HSPA5 (1.00) ALDH1A1L3MBTL1HSPA5KDM4EHPGD
SCHEMBL19688119 0.75 HSPA5 (0.39) ALDH1A1L3MBTL1HSPA5KDM4EHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0439607-A4 NOVEL GLYOXYLATES AND HERBICIDAL AND PLANT GROWTH REGULANT ACTIVITY OF GLYOXYLATES 1991-12-04 EP disclosed
EP-0439607-A1 NOVEL GLYOXYLATES AND HERBICIDAL AND PLANT GROWTH REGULANT ACTIVITY OF GLYOXYLATES ISK BIOSCIENCES CORPORATION (US) 1991-08-07 EP disclosed
WO-1991000009-A1 NOVEL GLYOXYLATES AND HERBICIDAL AND PLANT GROWTH REGULANT ACTIVITY OF GLYOXYLATES FERMENTA ASC CORPORATION (US) 1991-01-10 WO disclosed