SCHEMBL23964456

SCHEMBL23964456

C=CC(=O)OCCn1c(=O)n(CCO)c(=O)n(CCOC(O)C=C)c1=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.42
ALDH1A1 P00352 4/20 0.36
TP53 P04637 3/20 0.36
HIF1A Q16665 3/20 0.36
CYP3A4 P08684 2/20 0.36
HSD17B10 Q99714 1/20 0.36
HPGD P15428 1/20 0.33
THRB P10828 1/20 0.32
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PLA2G4A P47712 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
SCHEMBL21986056 0.95 TSHR (0.40) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL776295 0.87 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL230828 0.87 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2730490 0.82 TSHR (0.49) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL42549 0.81 TSHR (0.52) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL9266437 0.80 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL12993031 0.80 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL17589483 0.78 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27900308 0.78 TSHR (0.47) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL15631086 0.76 TSHR (0.42) 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
EP-3299423-B1 COLORING COMPOSITION, FILM, COLOR FILTER, METHOD FOR FORMING PATTERN, METHOD FOR PRODUCING COLOR FILTER, SOLID-STATE IMAGING DEVICE, AND INFRARED SENSOR FUJIFILM CORP (JP) 2021-10-27 EP disclosed