SCHEMBL16597201

SCHEMBL16597201

CC(=O)OCc1cc(C(C)=O)cc(COC(C)=O)c1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.43
ALDH1A1 P00352 9/20 0.41
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP3A4 P08684 1/20 0.40
TSHR P16473 2/20 0.39
MAPK10 P53779 2/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
LMNA P02545 2/20 0.38
PKM P14618 1/20 0.38
THRB P10828 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL16592863 0.80 CA5A (0.39) CA5AALDH1A1HSD17B10KDM4ECYP3A4
SCHEMBL12456875 0.79 ALDH1A1 (0.44) ALDH1A1HSD17B10KDM4ECYP3A4MAPT
SCHEMBL13642227 0.77 CA2 (0.43) ALDH1A1HSD17B10KDM4ECYP3A4MAPT
SCHEMBL3293016 0.77 ALDH1A1 (0.52) ALDH1A1HSD17B10KDM4ECYP3A4SMN1; SMN2
SCHEMBL11290412 0.77 PKM (0.64) ALDH1A1KDM4ETSHRMAPK10MAPK1
Ammonia Solution, Strong SCHEMBL10624691 0.76 HSD17B10 (0.42) ALDH1A1HSD17B10KDM4ECYP3A4MEN1
SCHEMBL30786724 0.74 ALDH1A1 (0.52) ALDH1A1HSD17B10KDM4ETSHRMAPK10
SCHEMBL30786725 0.74 ALDH1A1 (0.52) ALDH1A1HSD17B10KDM4ETSHRMAPK10
SCHEMBL11110793 0.74 ALDH1A1 (0.52) ALDH1A1HSD17B10KDM4ETSHRMAPK10
SCHEMBL9731794 0.74 HSD17B10 (0.46) ALDH1A1HSD17B10KDM4ECYP3A4MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150086911-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM, MASK BLANKS INCLUDING ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM, PATTERN FORMING METHOD AND PHOTOMASK FUJIFILM CORPORATION (JP) 2015-03-26 US disclosed