SCHEMBL9509975

SCHEMBL9509975

O=C1COCCC1C(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.56
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
ALOX15 P16050 1/20 0.41
HBB P68871 1/20 0.41
EPHX1 P07099 2/20 0.40
L3MBTL1 Q9Y468 3/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL12247723 0.78 L3MBTL1 (0.50) L3MBTL1NPC1ALDH1A1CYP2C9HPGD
SCHEMBL9814781 0.77 MAPT (0.53) MCL1POLBGAAHSD17B10MAPT
SCHEMBL8159995 0.77 MCL1 (0.51) MCL1POLBGAAHSD17B10MAPT
SCHEMBL11519541 0.76 MCL1 (0.76) MCL1POLBGAAHSD17B10MAPT
SCHEMBL12789408 0.74 HTR2A (0.49) MCL1ALDH1A1MEN1KMT2A
SCHEMBL749191 0.73 MCL1 (0.89) MCL1POLBGAAHSD17B10MAPT
SCHEMBL10503967 0.72 MCL1 (0.47) MCL1POLBGAAHSD17B10MAPT
SCHEMBL19751086 0.71 RIPK1 (0.47) MCL1EPHX1MEN1KMT2A
SCHEMBL600072 0.71 MCL1 (1.00) MCL1POLBGAAHSD17B10MAPT
SCHEMBL29287392 0.70 MCL1 (0.57) MCL1POLBGAAHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0298680-B1 HERBICIDAL COMPOSITIONS OF ACYLATED 1,3-DICARBONYL HERBICIDES AND ANTIDOTES THEREFOR ZENECA INC. (US) 1993-09-15 EP disclosed
US-4938796-A Haloalkamides and naphthalene anhydride ICI AMERICAS INC. (US) 1990-07-03 US disclosed
US-4859234-A Herbicidal compositions of acylated 1,3-dicarbonyl herbicides and phenoxyalkanoic acids, salts, amides and esters therof as antidotes ICI AMERICAS INC. (US) 1989-08-22 US disclosed
EP-0298680-A2 Herbicidal compositions of acylated 1,3-dicarbonyl herbicides and antidotes therefor ZENECA INC. (US) 1989-01-11 EP disclosed
US-4695673-A Process for the production of acylated 1,3-dicarbonyl compounds STAUFFER CHEMICAL COMPANY (US) 1987-09-22 US disclosed