SCHEMBL29085486

SCHEMBL29085486

C=CC(=O)OCCC1(C(N)=O)CCCCC1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.35
ALDH1A1 P00352 3/20 0.35
TP53 P04637 2/20 0.35
HIF1A Q16665 2/20 0.35
CYP3A4 P08684 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HPGD P15428 1/20 0.33
THRB P10828 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
SCHEMBL20609120 0.91 TSHR (0.36) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL58129 0.90 TSHR (0.37) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28166770 0.82 TSHR (0.41) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL29678494 0.81 TSHR (0.44) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL8849209 0.80 TP53 (0.36) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27762770 0.79 TSHR (0.33) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27241836 0.74 GSTP1 (0.31)
SCHEMBL21647310 0.73 TSHR (0.39) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28867035 0.71 SLC1A2 (0.34) TSHR
SCHEMBL28008052 0.71 TSHR (0.41) 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-112961610-B Pressure-sensitive adhesive composition, pressure-sensitive adhesive, and pressure-sensitive adhesive sheet 琳得科株式会社 2023-07-18 CN disclosed