SCHEMBL11500044

SCHEMBL11500044

C=CC(=O)OC(=C)COC(=O)CC#N

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.37
ALDH1A1 P00352 4/20 0.37
CYP3A4 P08684 2/20 0.37
HPGD P15428 1/20 0.34
TP53 P04637 3/20 0.33
HIF1A Q16665 3/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL5090096 0.81 MCL1 (0.36) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL12085149 0.77 TSHR (0.62) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL3988292 0.77 TSHR (0.55) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL23583597 0.72 TSHR (0.66) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL19791941 0.71 MCL1 (0.33) TSHRALDH1A1
SCHEMBL13739822 0.70 ALDH1A1 (0.43) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL11496932 0.70 TSHR (0.32) TSHRALDH1A1CYP3A4TP53HIF1A
SCHEMBL338964 0.70
SCHEMBL8413847 0.70 MCL1 (0.37) TSHRALDH1A1
SCHEMBL13227318 0.70 ALDH1A1 (0.36) TSHRALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0017703-A1 Copolymerizable (2-cyano-3,3-diarylacryloxy)alkylene compounds, a method of making them and the use of these compounds as ultraviolet light absorbers GAF CORPORATION (US) 1980-10-29 EP claimed
US-4218392-A Two-step method of making copolymerizable, ultraviolet light absorber _2-cyano-3,3-diphenylacryloxy) alkylene acrylic acid esters GAF CORPORATION (US) 1980-08-19 US claimed
EP-0017703-A1 Copolymerizable (2-cyano-3,3-diarylacryloxy)alkylene compounds, a method of making them and the use of these compounds as ultraviolet light absorbers GAF CORPORATION (US) 1980-10-29 EP disclosed
US-4218392-A Two-step method of making copolymerizable, ultraviolet light absorber _2-cyano-3,3-diphenylacryloxy) alkylene acrylic acid esters GAF CORPORATION (US) 1980-08-19 US disclosed
US-4178303-A (2-Cyano-3,3-diphenylacryloxy) alkylene acrylic acid esters GAF CORPORATION (US) 1979-12-11 US disclosed