SCHEMBL5969942

SCHEMBL5969942

C=CC(=O)OC(C=C)NC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.38
HPGD P15428 1/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 5/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.31
FGFR4 P22455 1/20 0.31
HCAR2 Q8TDS4 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
SCHEMBL8982426 0.81 TSHR (0.41) TSHRHPGDLMNAALDH1A1TP53
SCHEMBL11282324 0.80 TSHR (0.39) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL9841939 0.74 TSHR (0.33) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL931342 0.73 TSHR (0.35) TSHRHPGDLMNAALDH1A1TP53
SCHEMBL9065739 0.71
SCHEMBL701216 0.71 TSHR (0.39) TSHRHPGDALDH1A1FGFR4
SCHEMBL170037 0.71 TSHR (0.35) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL4331007 0.71 TSHR (0.41) TSHRHPGDLMNAALDH1A1TP53
SCHEMBL3182166 0.70
SCHEMBL851711 0.70

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-1618171-A1 ORGANIC POLYMER LIGHT-EMITTING ELEMENT MATERIAL HAVING GOLD COMPLEX STRUCTURE AND ORGANIC POLYMER LIGHT-EMITTING ELEMENT Showa Denko K.K. (JP) 2006-01-25 EP disclosed
WO-2004096947-A1 ORGANIC POLYMER LIGHT-EMITTING ELEMENT MATERIAL HAVING GOLD COMPLEX STRUCTURE AND ORGANIC POLYMER LIGHT-EMITTING ELEMENT SHOWA DENKO K.K. (JP) 2004-11-11 WO disclosed