SCHEMBL28634085

SCHEMBL28634085

CCCC(CC)COC(=O)c1ccccc1C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.74
CYP3A4 P08684 4/20 0.74
CA2 P00918 1/20 0.74
PRSS1 P07477 1/20 0.70
PRSS2 P07478 1/20 0.70
PRSS3 P35030 1/20 0.70
LMNA P02545 4/20 0.63
TSHR P16473 8/20 0.54
MAPK1 P28482 4/20 0.54
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TP53 P04637 1/20 0.46
HSD17B10 Q99714 1/20 0.45
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL4362343 0.94 ALDH1A1 (0.82) ALDH1A1CYP3A4CA2PRSS1PRSS2
SCHEMBL21114418 0.92 ALDH1A1 (0.89) ALDH1A1CYP3A4CA2PRSS1PRSS2
Phthalic Acid SCHEMBL28278056 0.92 ALDH1A1 (0.89) ALDH1A1CYP3A4CA2PRSS1PRSS2
SCHEMBL29399469 0.92 ALDH1A1 (0.89) ALDH1A1CYP3A4CA2PRSS1PRSS2
SCHEMBL472689 0.92 ALDH1A1 (0.89) ALDH1A1CYP3A4CA2PRSS1PRSS2
Bis(2-Ethylhexyl) Phthalate SCHEMBL28278055 0.92 ALDH1A1 (0.89) ALDH1A1CYP3A4CA2PRSS1PRSS2
SCHEMBL3775482 0.91 ALDH1A1 (0.68) ALDH1A1CYP3A4CA2PRSS1PRSS2
SCHEMBL28117745 0.90 PRSS1 (0.87) ALDH1A1CYP3A4CA2PRSS1PRSS2
Alcohol SCHEMBL28995205 0.89 ALDH1A1 (0.84) ALDH1A1CYP3A4CA2PRSS1PRSS2
SCHEMBL3772079 0.89 PRSS1 (0.90) ALDH1A1CYP3A4CA2PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117924563-A Solid catalyst for preparing polypropylene and method for preparing propylene derivative polymer 韩华道达尔能源有限公司 2024-04-26 CN disclosed
CN-111349185-B Solid catalyst for propylene polymerization and method for producing block copolymer using the same 韩华道达尔能源有限公司 2023-02-03 CN disclosed
CN-108148153-B Solid catalyst and method for preparing propylene polymer or copolymer using the same 韩华道达尔有限公司 2021-08-10 CN disclosed
CN-111349185-A Solid catalyst for propylene polymerization and method for producing block copolymer using the same 韩华道达尔有限公司 2020-06-30 CN disclosed