SCHEMBL28880877

SCHEMBL28880877

C=CC(=O)OC(CN)CCC(O)CN

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
TP53 P04637 3/20 0.35
HIF1A Q16665 3/20 0.35
CYP3A4 P08684 2/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 5/20 0.32
GABRR1 P24046 2/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL11501642 0.80 TSHR (0.40) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL13950257 0.77 TSHR (0.39) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL17289033 0.76 ALDH1A1 (0.40) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL483315 0.76 TSHR (0.39) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL391134 0.74 TSHR (0.52) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL28815112 0.74 TSHR (0.35) ALDH1A1TSHRGABRR1LMNA
SCHEMBL28191574 0.73 TSHR (0.33) TSHR
SCHEMBL27995286 0.72
SCHEMBL3284084 0.70 TSHR (0.40) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL8422176 0.69 TSHR (0.55) ALDH1A1TP53HIF1ACYP3A4MAPK1

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-114975939-A Water-based cathode slurry, cathode pole piece and lithium ion battery 武汉微美新材料科技有限公司 2022-08-30 CN disclosed