SCHEMBL7136406

SCHEMBL7136406

C=CC(=O)OC=CCCOC(=O)C=C

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.52
ALDH1A1 P00352 4/20 0.52
TP53 P04637 3/20 0.52
HIF1A Q16665 3/20 0.52
CYP3A4 P08684 2/20 0.52
HSD17B10 Q99714 1/20 0.52
HPGD P15428 1/20 0.47
THRB P10828 2/20 0.40
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL2592311 0.87 TSHR (0.62) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL30190646 0.85 TSHR (0.66) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL31636169 0.85 TSHR (0.66) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL277924 0.79 TSHR (0.45) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28069197 0.79 TSHR (0.45) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL6530911 0.78 TSHR (0.59) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL9176522 0.78 TSHR (0.59) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL9153653 0.78 TSHR (0.54) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28446612 0.78 TSHR (0.54) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL674235 0.78 TSHR (0.54) TSHRALDH1A1TP53HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1082624-B1 OPTHALMIC LENS MADE OF ORGANIC GLASS, COMPRISING AN ANTI-SHOCK PRIMER COAT ESSILOR INT (FR) 2016-02-10 EP claimed
US-6503631-B1 Organic glass, comprising, on at least one of its faces, an impact-resistant primer layer consisting of an aggregate of at least two-phase particles and in particular an aggregate of polymeric particles having a core/shell structure ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2003-01-07 US claimed
EP-0009690-B1 USE OF POLYVINYLIDENE CHLORIDE IN THE PREPARATION OF POLYMERIC MATERIALS THE DOW CHEMICAL COMPANY (US) 1982-10-27 EP claimed