SCHEMBL28799239

SCHEMBL28799239

C=C(C)C(=O)OC(=O)CCN

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TSHR P16473 3/20 0.38
THRB P10828 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP1A2 P05177 1/20 0.33
PAOX Q6QHF9 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ELANE P08246 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
SCHEMBL28029465 0.88 CYP1A2 (0.48) ALDH1A1TSHRTHRBTDP1CYP1A2
SCHEMBL895687 0.86 ALDH1A1 (0.48) ALDH1A1TSHRTHRBTDP1HSD17B10
SCHEMBL28439872 0.84 PAOX (0.50) ALDH1A1TSHRTHRBCYP1A2PAOX
SCHEMBL27655604 0.84 PAOX (0.50) ALDH1A1TSHRTHRBCYP1A2PAOX
SCHEMBL28684494 0.84 ALDH1A1 (0.46) ALDH1A1TSHRTHRBTDP1HSD17B10
SCHEMBL5520287 0.82 TSHR (0.44) ALDH1A1TSHRTHRBTDP1CYP1A2
SCHEMBL5138342 0.82 ALDH1A1 (0.44) ALDH1A1TSHRTHRBTDP1HSD17B10
SCHEMBL14052460 0.82 ALDH1A1 (0.39) ALDH1A1TSHRCYP1A2PAOX
SCHEMBL17527556 0.82
SCHEMBL3621687 0.82 ALDH1A1 (0.44) ALDH1A1TSHRTHRBTDP1HSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805711-A Preparation method of polymer-based acid-base catalyst with isolated spatial sites 浙江理工大学 2022-07-29 CN claimed
CN-114805711-B Preparation method of polymer-based acid-base catalyst with isolated space sites 浙江理工大学 2024-01-30 CN disclosed
CN-114805711-A Preparation method of polymer-based acid-base catalyst with isolated spatial sites 浙江理工大学 2022-07-29 CN disclosed