SCHEMBL7756676

SCHEMBL7756676

C=CC(=O)OCCC(=C)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.52
ALDH1A1 P00352 5/20 0.52
TP53 P04637 3/20 0.52
HIF1A Q16665 3/20 0.52
CYP3A4 P08684 2/20 0.52
HSD17B10 Q99714 1/20 0.52
HPGD P15428 1/20 0.47
THRB P10828 2/20 0.40
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FGFR4 P22455 1/20 0.33
MAPT P10636 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 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
SCHEMBL2778187 0.89 TSHR (0.59) TSHRALDH1A1TP53HIF1ACYP3A4
Urea SCHEMBL28815528 0.82 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL367337 0.82 TSHR (0.54) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL7069294 0.81 TSHR (0.58) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27515412 0.80 TSHR (0.57) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27892013 0.79 ATM (0.37) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL9311796 0.79 TSHR (0.60) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL6374664 0.77 TSHR (0.48) TSHRALDH1A1TP53HIF1ACYP3A4
Urea SCHEMBL29140398 0.77 TSHR (0.86) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28154956 0.77 TSHR (0.58) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016142118-A1 DENTAL MATERIALS BASED ON HYBRID MONOMERES IVOCLAR VIVADENT AG (LI) 2016-09-15 WO disclosed
CN-101142525-A Pattern formation material, pattern formation device, and pattern formation method FUJI FILM CORP (JP) 2008-03-12 CN disclosed
JP-2001270856-A METHOD FOR PRODUCING N-(METH) ACRYLOYLOXYETHYLACRYLAMIDE DAINIPPON INK & CHEM INC 2001-10-02 JP disclosed