SCHEMBL28297558

SCHEMBL28297558

CCCCCC(CCC)COC(=O)C(O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.52
PRSS2 P07478 1/20 0.52
PRSS3 P35030 1/20 0.52
ALDH1A1 P00352 5/20 0.48
NAAA Q02083 2/20 0.48
CA2 P00918 1/20 0.48
CYP3A4 P08684 1/20 0.48
LMNA P02545 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ASAH1 Q13510 2/20 0.40
ACER2 Q5QJU3 1/20 0.39

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
SCHEMBL28297557 1.00 PRSS1 (0.52) PRSS1PRSS2PRSS3ALDH1A1NAAA
SCHEMBL28298975 0.87 ALDH1A1 (0.63) PRSS1PRSS2PRSS3ALDH1A1NAAA
SCHEMBL28958351 0.87 ALDH1A1 (0.63) PRSS1PRSS2PRSS3ALDH1A1NAAA
SCHEMBL19024709 0.82 PRSS1 (0.57) PRSS1PRSS2PRSS3ALDH1A1NAAA
SCHEMBL19024670 0.82 PRSS1 (0.57) PRSS1PRSS2PRSS3ALDH1A1NAAA
SCHEMBL19024899 0.82 PRSS1 (0.57) PRSS1PRSS2PRSS3ALDH1A1NAAA
SCHEMBL19024669 0.82 PRSS1 (0.57) PRSS1PRSS2PRSS3ALDH1A1NAAA
SCHEMBL19024902 0.82 PRSS1 (0.57) PRSS1PRSS2PRSS3ALDH1A1NAAA
SCHEMBL19024811 0.82 PRSS1 (0.57) PRSS1PRSS2PRSS3ALDH1A1NAAA
SCHEMBL19024736 0.81 PRSS1 (0.59) PRSS1PRSS2PRSS3ALDH1A1CA2

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
CN-109843848-B Method for producing hydroxyalkyl carboxylic acid esters 巴斯夫欧洲公司 2023-02-28 CN disclosed
CN-109843848-A Method for producing hydroxyalkyl carboxylic acid esters 巴斯夫欧洲公司 2019-06-04 CN disclosed