SCHEMBL23866735

SCHEMBL23866735

CC(=O)OCCN(CCOC(C)=O)c1ccc(/C=C/C(=O)CC(=O)/C=C/c2ccc(N(CCOC(C)=O)CCOC(C)=O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.49
MMP8 P22894 1/20 0.47
AKR1B1 P15121 3/20 0.46
MAOB P27338 3/20 0.46
PTGS2 P35354 2/20 0.46
GLO1 Q04760 2/20 0.46
CAMK2A Q9UQM7 2/20 0.46
AKR1B10 O60218 1/20 0.46
MMP9 P14780 2/20 0.45
BACE1 P56817 10/20 0.43
NFE2L2 Q16236 2/20 0.42
HSD17B3 P37058 2/20 0.41
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 2/20 0.40
USP2 O75604 2/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40

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
SCHEMBL25955617 0.94 GSK3B (0.43) GSK3BMMP8AKR1B1MAOBPTGS2
SCHEMBL9512183 0.83 ALDH1A1 (0.41) HSD17B3MEN1USP2ALDH1A1POLB
SCHEMBL9512188 0.83 ALDH1A1 (0.41) HSD17B3MEN1USP2ALDH1A1POLB
SCHEMBL7987478 0.82 ALDH1A1 (0.53) MEN1ALDH1A1POLBMAPTKMT2A
SCHEMBL23866727 0.78 ATG4B (0.52) GSK3BMMP8AKR1B1MAOBPTGS2
SCHEMBL22360553 0.77 ALDH1A1 (0.45) TSHRHSD17B10ALDH1A1POLBMAPT
SCHEMBL23866724 0.77 ALDH1A1 (0.61) GSK3BMMP8AKR1B1MAOBPTGS2
SCHEMBL9510976 0.77 APP (0.50) MAOBPTGS2MEN1ALDH1A1MAPT
SCHEMBL9510982 0.77 APP (0.50) MAOBPTGS2MEN1ALDH1A1MAPT
SCHEMBL5689109 0.77 ALDH1A1 (0.59) TSHRHSD17B10MEN1USP2ALDH1A1

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-11714354-B2 Lithographic printing plate precursor and method of use EASTMAN KODAK COMPANY (US) 2023-08-01 US disclosed
US-20210302834-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND METHOD OF USE BANK OF AMERICA, N.A., AS AGENT 2021-09-30 US disclosed