SCHEMBL6454869

SCHEMBL6454869

[CH2]CC(CC[O])OC(=O)C=C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.35
ALDH1A1 P00352 4/20 0.34
TP53 P04637 3/20 0.34
HIF1A Q16665 3/20 0.34
CYP3A4 P08684 2/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.33
HPGD P15428 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
SCHEMBL6046953 0.82 TSHR (0.41) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27517333 0.79 TSHR (0.40) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27957788 0.78 TSHR (0.46) TSHRMAPK1HPGD
SCHEMBL21694362 0.78 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL8193910 0.77 TSHR (0.44) TSHRALDH1A1CYP3A4MAPK1HPGD
SCHEMBL28328887 0.72 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL116157 0.72 TSHR (0.44) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL4444011 0.72 TSHR (0.41) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL9545994 0.71 TSHR (0.45) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27876312 0.71 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1525182-A1 PHOTOACTIVE MATERIALS Rolic AG (CH) 2005-04-27 EP disclosed
WO-2004013086-A1 PHOTOACTIVE MATERIALS ROLIC AG (CH) 2004-02-12 WO disclosed