SCHEMBL9752003

SCHEMBL9752003

CC(C)(C)c1cccc(Cc2ccccc2O)c1O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 3/20 0.57
CA2 P00918 1/20 0.55
TSHR P16473 2/20 0.53
ALDH1A1 P00352 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
GABRA1 P14867 2/20 0.48
GABRB2 P47870 2/20 0.48
ATM Q13315 1/20 0.47
HIF1A Q16665 3/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KEAP1 Q14145 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
ALOX12 P18054 1/20 0.41
CYP2D6 P10635 2/20 0.39
HSD17B10 Q99714 1/20 0.39
IDH1 O75874 1/20 0.39

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
SCHEMBL2935552 0.91 CA2 (0.67) HSPA5CA2TSHRALDH1A1TDP1
SCHEMBL23842558 0.82 GABRA1 (0.69) HSPA5CA2TSHRALDH1A1TDP1
SCHEMBL9514064 0.82 CA2 (0.55) HSPA5CA2TSHRALDH1A1TDP1
SCHEMBL18468286 0.81 CA2 (0.53) HSPA5CA2TSHRALDH1A1TDP1
SCHEMBL30874252 0.80 HSPA5 (0.80) HSPA5CA2TSHRALDH1A1TDP1
SCHEMBL54577 0.80 HSPA5 (0.80) HSPA5CA2TSHRALDH1A1TDP1
SCHEMBL5852506 0.80 HSPA5 (0.80) HSPA5CA2TSHRALDH1A1TDP1
SCHEMBL8377430 0.80 HSPA5 (0.75) HSPA5CA2TSHRALDH1A1TDP1
SCHEMBL27500423 0.80 GABRA1 (0.56) HSPA5CA2TSHRALDH1A1TDP1
SCHEMBL9737267 0.79 HSPA5 (0.64) HSPA5CA2TSHRALDH1A1TDP1

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 4 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
US-4976770-A POSTEMERGENCE, PREEMERGENCE HERBICIDES FERMENTA ASC CORPORATION (US) 1990-12-11 US disclosed