SCHEMBL11050866

SCHEMBL11050866

CN/C(C)=C\C(=O)OCCOC(=O)/C=C(/C)NC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.37
ALDH1A1 P00352 5/20 0.37
TP53 P04637 2/20 0.37
HIF1A Q16665 2/20 0.37
HSD17B10 Q99714 1/20 0.37
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
HCAR2 Q8TDS4 3/20 0.33
HPGD P15428 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRNB2 P17787 1/20 0.33
NFKB1 P19838 1/20 0.33
CHRM3 P20309 1/20 0.33
MAPK1 P28482 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33

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
SCHEMBL11684067 0.92 SMN1; SMN2 (0.36) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9119949 0.90 HCAR2 (0.47) TSHRALDH1A1ATMNPSR1HCAR2
SCHEMBL11593363 0.90 TSHR (0.47) TSHRALDH1A1ATMNPSR1HCAR2
SCHEMBL9119943 0.90 HCAR2 (0.47) TSHRALDH1A1ATMNPSR1HCAR2
SCHEMBL10984499 0.86 ATM (0.57) TSHRALDH1A1ATMNPSR1HCAR2
SCHEMBL11585793 0.85 ALDH1A1 (0.34) ALDH1A1
SCHEMBL24793666 0.84 NPSR1 (0.52) ALDH1A1TP53HSD17B10ATMNPSR1
SCHEMBL1127387 0.84 NPSR1 (0.52) ALDH1A1TP53HSD17B10ATMNPSR1
SCHEMBL6570866 0.84 NPSR1 (0.52) ALDH1A1TP53HSD17B10ATMNPSR1
SCHEMBL10900619 0.83 EPHX1 (0.58) TSHRALDH1A1ATMHCAR2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4424336-A Meat-curable mixture, which are stable on storage, of epoxide resin, 3-aminocrotonic acid derivatives and maleimide compound CIBA-GEIGY CORPORATION (US) 1984-01-03 US disclosed
US-4360655-A Heat-curable mixtures, which are stable on storage, of epoxide compounds β-aminocrotonic acid derivatives and polyamine CIBA-GEIGY CORPORATION (US) 1982-11-23 US disclosed
US-4348511-A POLYURETHANES MODIFIED WITH BETA-AMINOCROTONIC ACID DERIVATIVES CIBA-GEIGY CORPORATION (US) 1982-09-07 US disclosed
US-4291146-A Heat-curable mixtures, which are stable on storage, of expoxide resins and β-aminocrotonic acid derivatives CIBA-GEIGY CORPORATION (US) 1981-09-22 US disclosed
US-4284752-A Process for producing crosslinked unsaturated polymers by reaction of .beta. CIBA-GEIGY CORPORATION (US) 1981-08-18 US disclosed
US-4161580-A Thermosetting mixtures of polyimide beta-amino crotonic acid derivative and polyamine which are stable on storage CIBA-GEIGY CORPORATION (US) 1979-07-17 US disclosed
US-4089845-A Thermosetting mixtures which are stable on storage from polyimide and .beta. CIBA-GEIGY CORPORATION (US) 1978-05-16 US disclosed