SCHEMBL21319643

SCHEMBL21319643

C=CC(=O)OCC(CO)(COC)COC(=O)C=C

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.81
TP53 P04637 3/20 0.81
HIF1A Q16665 3/20 0.81
CYP3A4 P08684 2/20 0.81
MAPK1 P28482 1/20 0.81
SMN1; SMN2 Q16637 1/20 0.81
THRB P10828 2/20 0.45
TSHR P16473 7/20 0.44
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL21776175 0.93 ALDH1A1 (0.71) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL22108772 0.93 ALDH1A1 (0.71) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL12777842 0.90 ALDH1A1 (0.64) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL151566 0.90 ALDH1A1 (1.00) ALDH1A1TP53HIF1ACYP3A4MAPK1
Propene SCHEMBL11030009 0.89 ALDH1A1 (0.88) ALDH1A1TP53HIF1ACYP3A4MAPK1
Ethylene SCHEMBL21434347 0.88 ALDH1A1 (0.96) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL1269051 0.88 ALDH1A1 (0.96) ALDH1A1TP53HIF1ACYP3A4MAPK1
Ammonia Solution, Strong SCHEMBL8679286 0.88 ALDH1A1 (0.96) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL6664674 0.88 ALDH1A1 (0.96) ALDH1A1TP53HIF1ACYP3A4MAPK1
Ethylene Glycol SCHEMBL5276892 0.86 ALDH1A1 (0.92) ALDH1A1TP53HIF1ACYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720925-B1 BIOCOMPATIBLE POLYMER COMPOSITIONS FOR DUAL OR MULTISTAGED CURING POLYNOVO BIOMATERIALS PTY LTD (AU) 2019-09-04 EP disclosed