SCHEMBL29163447

SCHEMBL29163447

CCCCN(CCCC)OC(=O)CCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
DNM1 Q05193 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA9 Q16790 2/20 0.39
CES1 P23141 7/20 0.38
DGKA P23743 1/20 0.38
CES2 O00748 6/20 0.37
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP8 P22894 1/20 0.36
LMNA P02545 2/20 0.35
AKR1B1 P15121 1/20 0.34
TP53 P04637 1/20 0.34
KDM6B O15054 1/20 0.34
KDM5C P41229 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
PHF8 Q9UPP1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34

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
SCHEMBL30964709 0.92 DNM1 (0.44) ALDH1A1DNM1CES1DGKACES2
SCHEMBL28485858 0.92 ALDH1A1 (0.43) ALDH1A1DNM1CA12CA1CA9
SCHEMBL28214910 0.91 CES1 (0.43) ALDH1A1DNM1CA12CA1CA9
SCHEMBL6312523 0.89 DNM1 (0.50) ALDH1A1DNM1CES1DGKACES2
SCHEMBL28214917 0.89 DNM1 (0.50) ALDH1A1DNM1CES1DGKACES2
SCHEMBL29115707 0.88 DGKA (0.53) ALDH1A1DNM1CES1DGKACES2
SCHEMBL29115852 0.88 DGKA (0.53) ALDH1A1DNM1CES1DGKACES2
SCHEMBL28069057 0.88 DGKA (0.53) ALDH1A1DNM1CES1DGKACES2
SCHEMBL28245785 0.86 ALDH1A1 (0.50) ALDH1A1DNM1CA12CA9CES1
SCHEMBL7799203 0.85 DNM1 (0.46) ALDH1A1DNM1CES1DGKACES2

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-114478870-B Catalyst system for olefin polymerization and olefin polymerization method 中国石油化工股份有限公司 2023-06-06 CN disclosed
CN-114507303-B External electron donor for olefin polymerization, catalyst system and olefin polymerization method 中国石油化工股份有限公司 2023-05-05 CN disclosed