SCHEMBL25514843

SCHEMBL25514843

C=CC(=O)OCC(CO)(COC(=O)C=C)COC(=O)CC

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.76
TP53 P04637 3/20 0.76
HIF1A Q16665 3/20 0.76
CYP3A4 P08684 2/20 0.76
MAPK1 P28482 1/20 0.76
SMN1; SMN2 Q16637 1/20 0.76
THRB P10828 1/20 0.46
TSHR P16473 8/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.37
NAAA Q02083 1/20 0.32

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
SCHEMBL13246010 0.94 ALDH1A1 (0.67) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL29582280 0.94 ALDH1A1 (0.67) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL13305496 0.94 ALDH1A1 (0.67) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL19625553 0.91 ALDH1A1 (0.60) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL14747687 0.90 THRB (0.64) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL14287822 0.88 THRB (0.60) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL13305491 0.87 ALDH1A1 (0.58) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL151566 0.87 ALDH1A1 (1.00) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL17922218 0.87 ALDH1A1 (0.71) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL15892211 0.86 ALDH1A1 (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230148217-A1 FILM INSERT MOLDED ARTICLE AND MANUFACTURING METHOD FOR FILM INSERT MOLDED ARTICLE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-05-11 US disclosed
US-20230148217-A1 FILM INSERT MOLDED ARTICLE AND MANUFACTURING METHOD FOR FILM INSERT MOLDED ARTICLE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-05-11 US disclosed