SCHEMBL11277855

SCHEMBL11277855

C=CCOC(=O)/C(O)=C(\O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
TSHR P16473 3/20 0.37
MAPT P10636 3/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
ALDH1A1 P00352 4/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTP4A3 O75365 2/20 0.34
PTP4A1 Q93096 2/20 0.34
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GAA P10253 1/20 0.32
PTP4A2 Q12974 1/20 0.31
SNCA P37840 1/20 0.31
APP P05067 1/20 0.31

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
SCHEMBL11278938 1.00 CYP3A4 (0.39) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL11274685 0.84 CYP3A4 (0.41) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL669729 0.83
SCHEMBL3458279 0.81 CYP3A4 (0.42) CYP3A4TSHRMAPTCACNA1BAPBA1
Hydrochloric Acid SCHEMBL9595329 0.81 CYP3A4 (0.42) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL4400634 0.81 CYP3A4 (0.42) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL10966895 0.80 CYP3A4 (0.45) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL177943 0.80 CYP3A4 (0.48) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL7512684 0.78 CYP3A4 (0.46) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL2733016 0.77 CYP3A4 (0.39) CYP3A4TSHRMAPTCACNA1BAPBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4339365-A Coating compositions containing pigment dispersants PPG INDUSTRIES, INC. (US) 1982-07-13 US claimed
US-4303764-A PAINTS, LACQUERS PPG INDUSTRIES, INC. (US) 1981-12-01 US claimed
US-4302560-A ACRYLIC POLYMERS HAVING AMINE OR AMINE SALT MOIETIES; PAINTS; FILMS; PROTECTIVE COATINGS PPG INDUSTRIES, INC. (US) 1981-11-24 US claimed
US-4339365-A Coating compositions containing pigment dispersants PPG INDUSTRIES, INC. (US) 1982-07-13 US disclosed
US-4303764-A PAINTS, LACQUERS PPG INDUSTRIES, INC. (US) 1981-12-01 US disclosed
US-4302561-A POLYMERIZATION PRODUCT OF AN ALKYL METHACRYLATE, HARDENER, UNSATURATED CARBOXYLIC ACID, AND AN AMINE; PAINTS PPG INDUSTRIES, INC. (US) 1981-11-24 US disclosed
US-4302560-A ACRYLIC POLYMERS HAVING AMINE OR AMINE SALT MOIETIES; PAINTS; FILMS; PROTECTIVE COATINGS PPG INDUSTRIES, INC. (US) 1981-11-24 US disclosed
US-4302562-A ACRYLIC POLYMERS HAVING AMINE OR AMINE SALT MOIETIES; PAINTS; FILMS; PROTECTIVE COATINGS PPG INDUSTRIES, INC. (US) 1981-11-24 US disclosed