SCHEMBL29089161

SCHEMBL29089161

C=CC(=O)OCC=C(O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.45
ALDH1A1 P00352 5/20 0.45
TP53 P04637 3/20 0.45
HIF1A Q16665 3/20 0.45
CYP3A4 P08684 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.41
THRB P10828 2/20 0.38
MAPT P10636 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL7124967 0.82 TSHR (0.48) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL8425135 0.79 TSHR (0.44) TSHRALDH1A1TP53HIF1ACYP3A4
Methane SCHEMBL28252262 0.77 TSHR (0.45) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL18801221 0.77 TSHR (0.43) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5193573 0.76 TSHR (0.59) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28106734 0.76 TSHR (0.49) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2024200 0.76 TSHR (0.48) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28174611 0.75 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL9277442 0.75 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
Bicarbonate SCHEMBL1577827 0.75 TSHR (0.50) 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-115003769-B Dual cure adhesive composition 韩松化学株式会社 2023-10-17 CN disclosed