SCHEMBL5196223

SCHEMBL5196223

C=CC(=O)OC(C=C)OC([O])=O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.34
ALDH1A1 P00352 3/20 0.32
TP53 P04637 2/20 0.32
HIF1A Q16665 2/20 0.32
CYP3A4 P08684 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL277923 0.91 TSHR (0.39) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL8752829 0.84 TSHR (0.35) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL8752830 0.82 TSHR (0.34) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL14797171 0.81 TSHR (0.37) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL3265188 0.80 TSHR (0.36) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL7644505 0.80 TSHR (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL3753907 0.77 TSHR (0.39) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL6060524 0.77 TSHR (0.34) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL8757262 0.77 TSHR (0.34) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL10530621 0.75 TSHR (0.34) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1801097-A1 Photocrosslinkable materials Rolic AG (CH) 2007-06-27 EP disclosed