SCHEMBL20198678

SCHEMBL20198678

C=CC(=O)OC(C)(C)C/C=C(\C)CC(C)(C)OC(=O)C=C

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.32
ALDH1A1 P00352 5/20 0.32
TP53 P04637 3/20 0.32
HIF1A Q16665 3/20 0.32
CYP3A4 P08684 2/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.31
THRB P10828 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
SCHEMBL5177765 0.81 TSHR (0.36) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL3666505 0.79 TSHR (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL20079310 0.77 HMGCR (0.39) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL7158382 0.74 TSHR (0.40) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL4590512 0.74 TSHR (0.40) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27546906 0.74 TSHR (0.32) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28024883 0.73 TSHR (0.33) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1374290 0.72 ALDH1A1 (0.47) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL302801 0.72 THRB (0.43) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27814320 0.72 TSHR (0.39) 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-2923692-B1 Beta-amino ester compounds and uses thereof LIVING PROOF INC (US) 2018-05-30 EP disclosed