SCHEMBL7596147

SCHEMBL7596147

CCCCOP(=O)(OCCCC)c1cc(C(=O)OC)cc(C(=O)OC)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
CASP1 P29466 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ESR1 P03372 5/20 0.42
LMNA P02545 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
HSD17B10 Q99714 1/20 0.39
MAPT P10636 1/20 0.39
CYP3A4 P08684 1/20 0.39
MGLL Q99685 1/20 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
SCHEMBL7588737 0.84 KDM4E (0.49) KDM4EALDH1A1L3MBTL1LMNACA12
SCHEMBL8291945 0.82 SLC7A5 (0.41) KDM4EALDH1A1L3MBTL1LMNACA12
SCHEMBL23250562 0.77 ESR1 (0.67) NPC1CASP1RAB9AKDM4EALDH1A1
SCHEMBL7591454 0.77 CA12 (0.50) KDM4EALDH1A1L3MBTL1LMNACA12
SCHEMBL2771698 0.76 MAPT (0.58) NPC1CASP1RAB9AKDM4EALDH1A1
SCHEMBL12793478 0.74 ESR1 (0.58) NPC1CASP1RAB9AKDM4EALDH1A1
SCHEMBL29912822 0.74 KDM4E (0.39) NPC1CASP1RAB9AKDM4EALDH1A1
SCHEMBL21805851 0.74 LMNA (0.56) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL14999535 0.73 ESR1 (0.55) NPC1CASP1RAB9AKDM4EALDH1A1
SCHEMBL7997525 0.73 SLC6A5 (0.50) NPC1CASP1RAB9AMAPT

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-0855400-B1 Phenylphosphonic acid derivative and production process therefor NISSAN CHEMICAL IND LTD (JP) 2002-11-06 EP disclosed
US-5880309-A DIALKYL DIALKOXYCARBONYLPHENYL PHOSPHONATES USEFUL AS RESIN MODIFIERS PRODUCED AT HIGH YIELD AND LOW COST BY HEATING A TRIALKYL PHOSPHITE AND A DIALKOXYCARBONYLPHENYL HALIDE IN THE PRESENCE OF A PALLADIUM OR NICKEL CATALYST AND HYDROLYZING NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-09 US disclosed
EP-0855400-A1 Phenylphosphonic acid derivative and production process therefor NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1998-07-29 EP disclosed