SCHEMBL8080116

SCHEMBL8080116

COC(=O)C(=COCC#N)c1ccccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.44
NPC1 O15118 1/20 0.38
ATM Q13315 1/20 0.38
KDM4E B2RXH2 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 3/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
EGFR P00533 1/20 0.35
NOX4 Q9NPH5 1/20 0.35
HIF1A Q16665 2/20 0.35
MPO P05164 1/20 0.35
AR P10275 2/20 0.35
CYP2C19 P33261 2/20 0.35

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
SCHEMBL8406508 1.00 LMNA (0.44) LMNATSHRNPC1ATMKDM4E
SCHEMBL8623044 0.85 KDM4E (0.41) LMNATSHRNPC1KDM4ESMN1; SMN2
SCHEMBL7698025 0.82 LMNA (0.47) LMNATSHRNPC1ATMKDM4E
SCHEMBL7516474 0.82 LMNA (0.47) LMNATSHRNPC1ATMKDM4E
SCHEMBL29721816 0.79 LMNA (0.55) LMNATSHRNPC1ATMKDM4E
SCHEMBL1223756 0.79 LMNA (0.55) LMNATSHRNPC1ATMKDM4E
SCHEMBL1223761 0.79 LMNA (0.55) LMNATSHRNPC1ATMKDM4E
SCHEMBL710656 0.79 LMNA (0.55) LMNATSHRNPC1ATMKDM4E
SCHEMBL2985717 0.76 LMNA (0.58) LMNATSHRNPC1ATMKDM4E
SCHEMBL17755553 0.76 LMNA (0.58) LMNATSHRNPC1ATMKDM4E

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-0842146-B1 OXIMETHER AND ACRYLIC ACID DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER AG (DE) 2000-08-23 EP disclosed
US-5977123-A Oximether and acrylic acid derivatives and their use as fungicides BAYER AKTIENGESELLSCGAFT (DE) 1999-11-02 US disclosed
EP-0842146-A1 OXIMETHER AND ACRYLIC ACID DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER AG (DE) 1998-05-20 EP disclosed
WO-1997003950-A1 OXIMETHER AND ACRYLIC ACID DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-02-06 WO disclosed