SCHEMBL6832844

SCHEMBL6832844

CCCc1ccc(C(=O)C(O)c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.62
CES2 O00748 1/20 0.62
CES1 P23141 1/20 0.62
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.49
PLK1 P53350 1/20 0.47
HSD17B10 Q99714 1/20 0.46
THRB P10828 1/20 0.46
POLB P06746 3/20 0.44
CTDSP1 Q9GZU7 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
MAPK1 P28482 1/20 0.44
NAAA Q02083 2/20 0.43
TRPV1 Q8NER1 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL6832845 0.94 CES2 (0.62) LMNACES2CES1KDM4EALDH1A1
SCHEMBL6838813 0.91 CES2 (0.59) LMNACES2CES1KDM4EALDH1A1
SCHEMBL6837052 0.89 CES2 (0.57) LMNACES2CES1KDM4EALDH1A1
SCHEMBL6832878 0.88 RARB (0.56) LMNACES2CES1KDM4EALDH1A1
SCHEMBL6836519 0.88 RARB (0.56) LMNACES2CES1KDM4EALDH1A1
SCHEMBL6836850 0.88 RARB (0.56) LMNACES2CES1KDM4EALDH1A1
SCHEMBL1788851 0.87 LMNA (0.67) LMNACES2CES1KDM4EALDH1A1
SCHEMBL6838814 0.84 CES2 (0.59) LMNACES2CES1KDM4EALDH1A1
SCHEMBL6837054 0.83 CES2 (0.57) LMNACES2CES1ALDH1A1THRB
Dimethylamine SCHEMBL7287513 0.83 LMNA (0.61) LMNACES2CES1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0564282-A2 Bis-dithiobenzilnickel complexes for usae in near-infrared absorbing materials and benzoin derivatives as intermediates therefor NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1993-10-06 EP claimed
EP-1966217-B1 NOVEL, ACYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER IP GMBH (DE) 2013-05-08 EP disclosed
US-6756432-B2 POLYBUTADIENE TYPE POLYMER WITH A 1-BENZOPYRAN, A 1-BENZO PYRAN-2-ONE OR A BENZOIN DERIVATIVE; MOLDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-06-29 US disclosed
US-20030153655-A1 Polybutadiene composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-08-14 US disclosed
EP-0564282-B1 Bis-dithiobenzilnickel complexes for use in near-infrared absorbing materials and benzoin derivatives as intermediates therefor JUJO PAPER CO LTD (JP) 1996-07-03 EP disclosed
US-5484689-A SUBSTRATE WITH OPTICAL RECORDING LAYER AND COLORLESSS DYE NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1996-01-16 US disclosed
EP-0564282-A2 Bis-dithiobenzilnickel complexes for usae in near-infrared absorbing materials and benzoin derivatives as intermediates therefor NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1993-10-06 EP disclosed