SCHEMBL21132832

SCHEMBL21132832

CN(C)C(=O)OC(C)(C)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46
KMT2A Q03164 3/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 2/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
MEN1 O00255 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KCNN4 O15554 2/20 0.41
DRD4 P21917 1/20 0.41
OPRM1 P35372 1/20 0.41
DRD3 P35462 1/20 0.41
CHRM2 P08172 3/20 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
SCHEMBL21886974 0.90 CYP2C9 (0.44) ALDH1A1ALOX15MAPK1KMT2AMAPT
SCHEMBL6552317 0.79 ALDH1A1 (0.58) ALDH1A1ALOX15MAPK1CYP2C19HIF1A
SCHEMBL8647287 0.79 ALDH1A1 (0.58) ALDH1A1ALOX15MAPK1CYP2C19HIF1A
SCHEMBL7099802 0.79 ALDH1A1 (0.58) ALDH1A1ALOX15MAPK1CYP2C19HIF1A
SCHEMBL11467417 0.78 ALDH1A1 (0.56) ALDH1A1ALOX15MAPK1CYP2C19HIF1A
Methane SCHEMBL7949344 0.78 ALDH1A1 (0.56) ALDH1A1ALOX15MAPK1CYP2C19HIF1A
SCHEMBL42458 0.78 ALDH1A1 (0.56) ALDH1A1ALOX15MAPK1CYP2C19HIF1A
Ethane SCHEMBL984516 0.78 ALDH1A1 (0.56) ALDH1A1ALOX15MAPK1CYP2C19HIF1A
Acetic Acid SCHEMBL23581538 0.76 ALDH1A1 (0.54) ALDH1A1ALOX15MAPK1CYP2C19HIF1A
SCHEMBL22168543 0.76 ALDH1A1 (0.54) ALDH1A1ALOX15MAPK1CYP2C19HIF1A

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
US-11117364-B2 Color developing composition, lithographic printing plate precursor, method for producing lithographic printing plate, and compound FUJIFILM CORPORATION (JP) 2021-09-14 US disclosed
US-20190184696-A1 COLOR DEVELOPING COMPOSITION, LITHOGRAPHIC PRINTING PLATE PRECURSOR, METHOD FOR PRODUCING LITHOGRAPHIC PRINTING PLATE, AND COMPOUND FUJIFILM CORPORATION (JP) 2019-06-20 US disclosed