SCHEMBL28077386

SCHEMBL28077386

CC(C)CC(CC(C)C)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.41
MMP8 P22894 1/20 0.39
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CTSS P25774 2/20 0.33
CTSK P43235 2/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CYP2D6 P10635 1/20 0.33
AAK1 Q2M2I8 6/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
APLNR P35414 1/20 0.31
MAPK1 P28482 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
SCHEMBL28248739 0.83 MMP8 (0.36) DGAT1MMP8CA1CA2CA7
SCHEMBL5552084 0.80 MMP8 (0.44) DGAT1MMP8CTSKGAA
SCHEMBL10243710 0.80 DGAT1 (0.45) DGAT1MMP8CA1CA2CA7
SCHEMBL29536020 0.80 DGAT1 (0.40) DGAT1MMP8CA1CA2CA7
SCHEMBL14041111 0.78 DGAT1 (0.39) DGAT1MMP8CA1CA2CA7
SCHEMBL28077395 0.78 DGAT1 (0.39) DGAT1MMP8CA1CA2CA7
SCHEMBL5557803 0.78 MMP8 (0.45) MMP8MEN1GAAKMT2A
SCHEMBL5552087 0.78 MMP8 (0.45) DGAT1MMP8CYP2D6MEN1KMT2A
SCHEMBL5557805 0.78 MMP8 (0.45) DGAT1MMP8MEN1KMT2A
Acetic Acid SCHEMBL7828068 0.78 DGAT1 (0.33) DGAT1MMP8CA1CA2CA7

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-106608940-A Preparation method for catalyst components used for olefin polymerization 中国石油化工股份有限公司 2017-05-03 CN claimed
CN-106608940-A Preparation method for catalyst components used for olefin polymerization 中国石油化工股份有限公司 2017-05-03 CN disclosed
CN-105837714-A METHOD FOR PRODUCING SOLID CATALYST COMPONENT FOR USE IN POLYMERIZATION OF OLEFIN, CATALYST FOR USE IN POLYMERIZATION OF OLEFIN, AND METHOD FOR PRODUCING OLEFIN POLYMER 东邦钛株式会社 2016-08-10 CN disclosed