SCHEMBL436695

SCHEMBL436695

C=CCOC(=O)C1=C(C(=O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 3/20 0.41
TSHR P16473 2/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
MAPT P10636 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
SNCA P37840 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
RHOA P61586 1/20 0.36
POLB P06746 1/20 0.35
PKM P14618 1/20 0.34

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
SCHEMBL7174686 0.93 CYP3A4 (0.44) CYP3A4ALDH1A1HSD17B10TSHRCA1
SCHEMBL20183947 0.92 CYP3A4 (0.53) CYP3A4ALDH1A1HSD17B10TSHRCA1
SCHEMBL20183970 0.86 CYP3A4 (0.48) CYP3A4ALDH1A1HSD17B10TSHRCA1
SCHEMBL20695812 0.84 CYP3A4 (0.50) CYP3A4ALDH1A1HSD17B10TSHRCA1
SCHEMBL7174680 0.84 CYP3A4 (0.50) CYP3A4ALDH1A1HSD17B10TSHRCA1
Vinyl Chloride SCHEMBL9716793 0.78 CYP3A4 (0.44) CYP3A4ALDH1A1HSD17B10TSHRCA1
SCHEMBL5831986 0.77 CYP3A4 (0.61) CYP3A4ALDH1A1HSD17B10TSHRCA1
SCHEMBL771170 0.77 CYP3A4 (0.61) CYP3A4ALDH1A1HSD17B10TSHRCA1
SCHEMBL982544 0.77 CYP3A4 (0.61) CYP3A4ALDH1A1HSD17B10TSHRCA1
SCHEMBL27459185 0.77 CYP3A4 (0.61) CYP3A4ALDH1A1HSD17B10TSHRCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8100988-B2 Dispersing and anti-sedimentation properties and the lowering of the pour point and cloud point temperatures, cetane number; for use as fuel in diesel engines and in fuels such as domestic fuel oil for boilers ELF ANTAR FRANCE (FR) 2012-01-24 US disclosed
US-20080244964-A1 MULTIFUNCTIONAL ADDITIVE COMPOSITIONS ENABLING MIDDLE DISTILLATES TO BE OPERABLE IN COLD CONDITIONS ELF ANTAR FRANCE (FR) 2008-10-09 US disclosed
US-7326262-B2 Dispersing and anti-sedimentation properties and the lowering of the pour point and cloud point temperatures, cetane number; for use as fuel in diesel engines and in fuels such as domestic fuel oil for boilers ELF ANTAR FRANCE (FR) 2008-02-05 US disclosed
US-20030163951-A1 Multifunctional additive compositions enabling middle distillates to be operable in cold conditions ELF ANTAR FRANCE (FR) 2003-09-04 US disclosed
EP-0220897-B1 POLYOLEFIN COMPOSITIONS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-07-04 EP disclosed
EP-0220897-A1 Polyolefin compositions SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-05-06 EP disclosed