SCHEMBL3284084

SCHEMBL3284084

C=CC(=O)OC(CN)OC(=O)C=C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.40
ALDH1A1 P00352 6/20 0.38
TP53 P04637 3/20 0.38
HIF1A Q16665 3/20 0.38
CYP3A4 P08684 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 1/20 0.34
FGFR4 P22455 1/20 0.33
MAPT P10636 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31

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
SCHEMBL3278404 0.82 ALDH1A1 (0.41) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27995286 0.79
SCHEMBL6533592 0.79
SCHEMBL5966667 0.78 TSHR (0.41) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL4907175 0.78 TSHR (0.44) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL4444011 0.78 TSHR (0.41) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL7718100 0.77 TSHR (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL202442 0.77
Hydrochloric Acid SCHEMBL29153268 0.77 TSHR (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
Ethylamine SCHEMBL6660820 0.77 TSHR (0.47) 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-1645297-B1 Biodegradable absorbent material KIMBERLY CLARK CO (US) 2010-06-16 EP claimed