SCHEMBL9869609

SCHEMBL9869609

COC(C)(C)CCOC(=O)/C=C\C(=O)OCCC(C)(C)OC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
HCAR2 Q8TDS4 8/20 0.44
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
TDP1 Q9NUW8 3/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALOX5 P09917 1/20 0.35
MET P08581 1/20 0.33
APP P05067 1/20 0.33
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AKR1B10 O60218 1/20 0.32
AKR1B1 P15121 1/20 0.32

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
SCHEMBL9869612 1.00 ATM (0.47) ATMHCAR2KEAP1NFE2L2TDP1
SCHEMBL29089346 0.87 ATM (0.40) ATMHCAR2TDP1LMNAALDH1A1
SCHEMBL3368716 0.84 TSHR (0.50) ATMTDP1LMNAALDH1A1CYP3A4
SCHEMBL10535335 0.81 ATM (0.48) ATMHCAR2KEAP1NFE2L2TDP1
SCHEMBL10535296 0.81 ATM (0.48) ATMHCAR2KEAP1NFE2L2TDP1
SCHEMBL12330817 0.80 ALDH1A1 (0.36) TDP1ALDH1A1TSHR
SCHEMBL29546719 0.80 ALDH1A1 (0.36) TDP1ALDH1A1TSHR
SCHEMBL9709226 0.80 ATM (0.52) ATMHCAR2KEAP1NFE2L2MAPT
SCHEMBL23373259 0.80 ATM (0.48) ATMHCAR2MAPTRAB9ANPSR1
Acetic Acid SCHEMBL28064195 0.80 TSHR (0.46) HCAR2TDP1LMNAALDH1A1CYP3A4

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-0253011-B1 COPOLYMERS OF BENZOTRIAZOL MONOMERS WITH MALEIC OR FUMARIC ACID DERIVATIVES AND POLYMERIC MATERIAL COMPOSITIONS MORISAWA & CO., LTD. (JP) 1991-03-20 EP disclosed
EP-0253011-A1 Copolymers of benzotriazol monomers with maleic or fumaric acid derivatives and polymeric material compositions MORISAWA & CO., LTD. (JP) 1988-01-20 EP disclosed