SCHEMBL6153276

SCHEMBL6153276

C=CCOC(=O)Oc1ccc(Sc2ccc(OC(=O)OCC=C)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TSHR P16473 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
NPSR1 Q6W5P4 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
HPGD P15428 2/20 0.34
TP53 P04637 2/20 0.34
PKM P14618 1/20 0.34
SNCA P37840 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
SCHEMBL10870487 0.89 CYP3A4 (0.50) CYP3A4ALDH1A1HSD17B10TSHRMEN1
SCHEMBL9355681 0.87 CYP3A4 (0.40) CYP3A4ALDH1A1HSD17B10TSHRMEN1
SCHEMBL6152948 0.84 CYP3A4 (0.46) CYP3A4ALDH1A1HSD17B10TSHRMEN1
SCHEMBL9717273 0.83 ALDH1A1 (0.48) CYP3A4ALDH1A1HSD17B10TSHRMAPT
SCHEMBL6152601 0.81 ELANE (0.49) CYP3A4ALDH1A1HSD17B10TSHRLMNA
SCHEMBL6151946 0.81 ELANE (0.46) CYP3A4ALDH1A1HSD17B10TSHRMEN1
SCHEMBL9700576 0.81 CYP3A4 (0.43) CYP3A4ALDH1A1HSD17B10TSHRMEN1
SCHEMBL6153149 0.81 SNCA (0.51) CYP3A4ALDH1A1HSD17B10TSHRMEN1
SCHEMBL9174753 0.81 CYP3A4 (0.43) CYP3A4ALDH1A1HSD17B10TSHRMEN1
SCHEMBL1598844 0.81 LMNA (0.48) CYP3A4ALDH1A1HSD17B10TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1196466-B1 POLYMERIZABLE COMPOSITION OF ALIPHATIC POLYOL (ALLYL CARBONATE) PPG IND OHIO INC (US) 2005-01-26 EP disclosed
EP-1196466-A1 POLYMERIZABLE COMPOSITION OF ALIPHATIC POLYOL (ALLYL CARBONATE) PPG Industries Ohio, Inc. (US) 2002-04-17 EP disclosed
US-6316570-B1 FOR PRODUCING POLYMERIZATES HAVING CLARITY, GOOD FLEXIBILITY, ABRASION RESISTANCE WHICH ARE USED IN PREPARATION OF MOLDED ARTICLES SUCH AS LENSES PPG INDUSTRIES OHIO, INC. 2001-11-13 US disclosed
WO-2000078832-A1 POLYMERIZABLE COMPOSITION OF ALIPHATIC POLYOL (ALLYL CARBONATE) PPG INDUSTRIES OHIO, INC. (US) 2000-12-28 WO disclosed