SCHEMBL28655992

SCHEMBL28655992

CCCCC(CCCC)(C(=O)OCc1ccccc1)C(=O)OCC(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
TSHR P16473 2/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CETP P11597 3/20 0.41
PTPN1 P18031 2/20 0.41
SLC15A1 P46059 1/20 0.41
PTPRC P08575 1/20 0.41
MBOAT4 Q96T53 1/20 0.40
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 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
SCHEMBL28663026 0.92 ALDH1A1 (0.45) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL28147418 0.90 ALDH1A1 (0.54) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL28665489 0.87 ALDH1A1 (0.47) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL28123741 0.86 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL28667905 0.86 ALDH1A1 (0.52) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL28653746 0.85 ALDH1A1 (0.52) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL28549322 0.85 ALDH1A1 (0.59) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL28123736 0.85 PTPN1 (0.53) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL7541915 0.85 CETP (0.52) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL7537786 0.85 CETP (0.52) ALDH1A1TSHRCYP3A4MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109678997-B Catalyst component and catalyst for olefin polymerization, prepolymerized catalyst and olefin polymerization method 中国石油化工股份有限公司 2021-11-19 CN disclosed