SCHEMBL21150140

SCHEMBL21150140

CCOC(=O)C[n+]1ccc(CC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
MEN1 O00255 3/20 0.42
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 2/20 0.41
RAD52 P43351 1/20 0.41
NLRP3 Q96P20 1/20 0.41
GLA P06280 1/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39

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
SCHEMBL8971275 0.87 ALDH1A1 (0.45) ALDH1A1KMT2AKDM4ECYP4F2CYP4A11
Bromide SCHEMBL9243928 0.85 ALDH1A1 (0.47) ALDH1A1KMT2AKDM4ECYP4F2CYP4A11
Bromide SCHEMBL10913040 0.82 ALDH1A1 (0.48) ALDH1A1KMT2AKDM4EMEN1TSHR
SCHEMBL4232151 0.79 KMT2A (0.47) ALDH1A1KMT2AMEN1POLBGLA
SCHEMBL28360786 0.78 PPID (0.49) ALDH1A1KDM4EMAPTGAAHSD17B10
SCHEMBL12789446 0.78 CYP4Z1 (0.44) ALDH1A1KMT2AKDM4ECYP4F2CYP4A11
Bromide SCHEMBL28793443 0.78 AOC3 (0.46) ALDH1A1KMT2AKDM4ECYP4F2CYP4A11
SCHEMBL23727297 0.77 TSHR (0.46) ALDH1A1KMT2AKDM4EMEN1TSHR
Hydrochloric Acid SCHEMBL28356953 0.77 PPID (0.48) ALDH1A1KDM4EMAPTGAAHSD17B10
Hydrochloric Acid SCHEMBL28356951 0.77 PPID (0.48) ALDH1A1KDM4EMAPTGAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3508349-B1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND PLATE-MAKING METHOD USING SAME FUJIFILM CORP (JP) 2021-12-15 EP disclosed
EP-3647069-A1 LITHOGRAPHIC PRINTING ORIGINAL PLATE AND METHOD FOR PRODUCING LITHOGRAPHIC PRINTING PLATE FUJIFILM Corporation (JP) 2020-05-06 EP disclosed
EP-3508349-A1 PRESENSITIZED PLATE AND PLATE-MAKING METHOD USING SAME FUJIFILM Corporation (JP) 2019-07-10 EP disclosed