SCHEMBL9717642

SCHEMBL9717642

C=CCOC(=O)c1ccc(C(=O)OCC=C)c(C(=O)OCC=C)c1C(=O)OCC=C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.69
ALDH1A1 P00352 3/20 0.59
HSD17B10 Q99714 2/20 0.59
TSHR P16473 1/20 0.59
SNCA P37840 1/20 0.45
RHOA P61586 1/20 0.43
KDM4E B2RXH2 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
APP P05067 1/20 0.38

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
SCHEMBL343095 0.89 CYP3A4 (0.76) CYP3A4ALDH1A1HSD17B10TSHRSNCA
SCHEMBL10611118 0.86 CYP3A4 (0.71) CYP3A4ALDH1A1HSD17B10TSHRSNCA
SCHEMBL9279951 0.85 CYP3A4 (0.71) CYP3A4ALDH1A1HSD17B10TSHRSNCA
SCHEMBL11500104 0.83 CYP3A4 (0.50) CYP3A4ALDH1A1HSD17B10TSHRSNCA
SCHEMBL11303033 0.83 CYP3A4 (0.67) CYP3A4ALDH1A1HSD17B10TSHRSNCA
SCHEMBL7631407 0.83 CYP3A4 (0.59) CYP3A4ALDH1A1HSD17B10TSHRSNCA
SCHEMBL8519071 0.82 CYP3A4 (0.53) CYP3A4ALDH1A1HSD17B10TSHRSNCA
SCHEMBL8100905 0.82 CYP3A4 (0.61) CYP3A4ALDH1A1HSD17B10TSHRRHOA
SCHEMBL16371573 0.82 CYP3A4 (1.00) CYP3A4ALDH1A1HSD17B10TSHRSNCA
SCHEMBL29362146 0.82 CYP3A4 (1.00) CYP3A4ALDH1A1HSD17B10TSHRSNCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0182079-B1 THERMALLY STABLE ADHESIVE National Starch and Chemical Investment Holding Corporation (US) 1992-04-22 EP disclosed
CN-1037300-A Hold the sealing article that is heated and restores RAYCHEM CORP (US) 1989-11-22 CN disclosed
EP-0244070-A2 Rapid curing, thermally stable adhesive National Starch and Chemical Investment Holding Corporation (US) 1987-11-04 EP disclosed
CN-87102640-A Quick-setting thermally stable adhesive 1987-11-04 CN disclosed
US-4692272-A CROSSLINKING AGENT AND CATALYST STAUFFER CHEMICAL COMPANY (US) 1987-09-08 US disclosed
US-4652398-A Rapid curing, thermally stable adhesive composition comprising epoxy resin, polyimide, reactive solvent, and crosslinker STAUFFER CHEMICAL COMPANY (US) 1987-03-24 US disclosed
US-4604230-A BLEND OF A POLYIMIDE, TACKIFIER, EPOXY RESIN, HARDENER, CATALYST, AND CROSSLINKING AGENT STAUFFER CHEMICAL COMPANY (US) 1986-08-05 US disclosed
EP-0182079-A2 Thermally stable adhesive National Starch and Chemical Investment Holding Corporation (US) 1986-05-28 EP disclosed
US-4299941-A MODIFIED WITH POLYBASIC ACID POLYALLYL ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-11-10 US disclosed