SCHEMBL11029337

SCHEMBL11029337

C=CC(=O)OCCC(=C)Cl

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.56
ALDH1A1 P00352 4/20 0.56
TP53 P04637 3/20 0.56
HIF1A Q16665 3/20 0.56
CYP3A4 P08684 2/20 0.56
HSD17B10 Q99714 1/20 0.56
HPGD P15428 1/20 0.50
THRB P10828 2/20 0.42
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ATM Q13315 1/20 0.30

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
SCHEMBL9311796 0.86 TSHR (0.60) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL9473157 0.86 TSHR (0.67) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL33473 0.84 TSHR (0.58) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28154956 0.80 TSHR (0.58) TSHRALDH1A1TP53HIF1ACYP3A4
1,1-Dichloroethene SCHEMBL27869326 0.78 TSHR (0.83) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL3285425 0.78 TSHR (0.56) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL4622715 0.78 TSHR (0.56) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL30604742 0.78 TSHR (0.84) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL93462 0.78 TSHR (0.84) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL12547083 0.77 TSHR (0.60) 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
CN-105602154-A Multifunctional plastic lunch box TAICANG CHENZHOU PLASTIC CO LTD 2016-05-25 CN claimed
CN-105602154-A Multifunctional plastic lunch box TAICANG CHENZHOU PLASTIC CO LTD 2016-05-25 CN disclosed
US-4434272-A ORGANIC TITANATE UNION CARBIDE CORPORATION (US) 1984-02-28 US disclosed