SCHEMBL9751995

SCHEMBL9751995

CC(C)(C)c1ccc(O)c(Cc2ccccc2O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.59
HSPA5 P11021 2/20 0.57
ALDH1A1 P00352 3/20 0.52
HSD17B10 Q99714 2/20 0.52
HPGD P15428 2/20 0.52
ALOX15 P16050 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
TSHR P16473 1/20 0.50
KLF10 Q13118 1/20 0.49
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
MAPT P10636 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
RECQL P46063 1/20 0.47
ESR1 P03372 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ESR2 Q92731 3/20 0.44

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
SCHEMBL51058 0.91 CYP2D6 (0.67) CYP2D6HSPA5ALDH1A1HSD17B10HPGD
SCHEMBL11089739 0.85 HSPA5 (0.52) CYP2D6HSPA5ALDH1A1HSD17B10HPGD
SCHEMBL11092652 0.84 CYP2D6 (0.62) CYP2D6ALDH1A1HSD17B10HPGDALOX15
SCHEMBL3810884 0.84 CYP2D6 (0.59) CYP2D6HSPA5ALDH1A1HSD17B10HPGD
SCHEMBL1345705 0.84 CYP2D6 (0.59) CYP2D6HSPA5ALDH1A1HSD17B10HPGD
SCHEMBL1343857 0.84 CYP2D6 (0.59) CYP2D6HSPA5ALDH1A1HSD17B10HPGD
SCHEMBL1345527 0.84 CYP2D6 (0.59) CYP2D6HSPA5ALDH1A1HSD17B10HPGD
SCHEMBL3819212 0.84 CYP2D6 (0.59) CYP2D6HSPA5ALDH1A1HSD17B10HPGD
SCHEMBL3821963 0.84 CYP2D6 (0.59) CYP2D6HSPA5ALDH1A1HSD17B10HPGD
SCHEMBL1345214 0.84 CYP2D6 (0.59) CYP2D6HSPA5ALDH1A1HSD17B10HPGD

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