SCHEMBL28656325

SCHEMBL28656325

CCCCCOC(=O)C(CCCCC)C(=O)OCCCCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 2/20 0.52
▸ TDP1 Q9NUW8 1/20 0.50
▸ MAPK1 P28482 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ LMNA P02545 2/20 0.49
▸ TSHR P16473 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ PTGES O14684 1/20 0.47
▸ ALOX5 P09917 1/20 0.47
▸ PPARG P37231 1/20 0.47

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
SCHEMBL28667823 1.00 CTSK (0.52) CTSKTDP1MAPK1L3MBTL1LMNA
SCHEMBL28647838 0.97 CTSK (0.55) CTSKTDP1MAPK1L3MBTL1LMNA
SCHEMBL28912222 0.96 CTSK (0.53) CTSKTDP1MAPK1L3MBTL1LMNA
SCHEMBL7781082 0.94 CTSK (0.50) CTSKMAPK1LMNATSHRTP53
SCHEMBL28549324 0.94 CTSK (0.52) CTSKTDP1MAPK1L3MBTL1LMNA
SCHEMBL28650661 0.94 CTSK (0.53) CTSKTDP1MAPK1L3MBTL1LMNA
SCHEMBL28650662 0.91 TSHR (0.51) CTSKTDP1MAPK1L3MBTL1LMNA
SCHEMBL28558860 0.91 TDP1 (0.52) CTSKTDP1MAPK1L3MBTL1LMNA
SCHEMBL28557093 0.91 CTSK (0.54) CTSKTDP1MAPK1L3MBTL1LMNA
SCHEMBL28557158 0.90 TDP1 (0.51) CTSKTDP1MAPK1L3MBTL1LMNA

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
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