SCHEMBL21557047

SCHEMBL21557047

COCc1ccc(C(=O)OC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LOXL2 Q9Y4K0 1/20 0.44
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
ELANE P08246 2/20 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
SCHEMBL9672938 0.84 CA12 (0.50) CA1CA2CA12CA9CA14
SCHEMBL7588248 0.83 ALDH1A1 (0.55) CA1CA2CA12CA9CA14
SCHEMBL7708759 0.83 KMT2A (0.52) CA1CA2CA12CA9CA14
SCHEMBL109451 0.82 CA1 (0.61) CA1CA2CA12CA9CA14
SCHEMBL16617577 0.81 CA1 (0.50) CA1CA2CA12CA9CA14
SCHEMBL1019092 0.81 CA1 (0.50) CA1CA2CA12CA9CA14
SCHEMBL7385067 0.81 CA1 (0.50) CA1CA2CA12CA9CA14
SCHEMBL28946325 0.81 ALDH1A1 (0.51) CA1CA2CA12CA9CA14
SCHEMBL2607023 0.81 LOXL2 (0.66) CA1CA2CA12CA9CA14
SCHEMBL23074190 0.80 CA2 (0.50) CA1CA2CA12CA9CA14

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
US-11674082-B2 Polymerizable liquid crystal compound, liquid crystal composition for optical element, polymer, optically anisotropic body, and optical element for display device LG CHEM, LTD. 2023-06-13 US disclosed
US-11674082-B2 Polymerizable liquid crystal compound, liquid crystal composition for optical element, polymer, optically anisotropic body, and optical element for display device LG CHEM, LTD. 2023-06-13 US disclosed
US-20210062092-A1 Polymerizable Liquid Crystal Compound, Liquid Crystal Composition for Optical Element, Polymer, Optically Anisotropic Body, and Optical Element for Display Device LG CHEM, LTD. (KR) 2021-03-04 US disclosed
EP-2419096-B1 STABILIZATION OF RADIOPHARMACEUTICAL COMPOSITIONS USING ASCORBIC ACID LANTHEUS MEDICAL IMAGING INC (US) 2019-11-13 EP disclosed