SCHEMBL28848840

SCHEMBL28848840

C=CC(=O)OCCC(CO)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.53
ALDH1A1 P00352 4/20 0.48
TP53 P04637 3/20 0.48
HIF1A Q16665 3/20 0.48
CYP3A4 P08684 2/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 1/20 0.44
THRB P10828 2/20 0.41
SLC1A1 P43005 1/20 0.34
GRIK1 P39086 2/20 0.31
GRIK2 Q13002 2/20 0.31
FOLH1 Q04609 1/20 0.31
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 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
SCHEMBL33753 0.84 TSHR (0.47) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27856672 0.84 TSHR (0.52) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL31412762 0.83 TSHR (0.52) TSHRALDH1A1TP53HIF1ACYP3A4
Bromide SCHEMBL29948278 0.82 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
Methyl Alcohol SCHEMBL27994591 0.81 TSHR (0.44) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL9060209 0.80 TSHR (0.56) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2534122 0.80 TSHR (0.47) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL25323214 0.78 FOLH1 (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL3292973 0.77 TSHR (0.57) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL29277897 0.77 TSHR (0.57) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107109165-A ADHESIVE COMPOSITION AND ADHESIVE FILM FOR TOUCH PANEL 株式会社LG化学 2017-08-29 CN disclosed