SCHEMBL27622660

SCHEMBL27622660

CC(C)CC(C)COC(=O)CCC(=O)OC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 2/20 0.48
▸ HTT P42858 2/20 0.40
▸ CYP2C19 P33261 1/20 0.39
▸ EPHX1 P07099 2/20 0.37
▸ CYP19A1 P11511 3/20 0.37
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MMP2 P08253 2/20 0.34
▸ MMP9 P14780 2/20 0.34
▸ ANPEP P15144 2/20 0.34
▸ LTA4H P09960 1/20 0.34
▸ LAP3 P28838 1/20 0.34
▸ NPEPPS P55786 1/20 0.34
▸ ERAP2 Q6P179 1/20 0.34
▸ ERAP1 Q9NZ08 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ TSHR P16473 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33

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
SCHEMBL30801440 0.82 NAAA (0.62) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL12017956 0.78 NAAA (0.49) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL22085961 0.78 NAAA (0.45) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL31069913 0.77 NAAA (0.66) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL258780 0.77 NAAA (0.66) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL7568980 0.77 NAAA (0.66) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL27514262 0.76 NAAA (0.62) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL585907 0.76 NAAA (0.57) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL207015 0.75 NAAA (0.64) NAAAHTTCYP2C19EPHX1CYP19A1
SCHEMBL20857700 0.74 NAAA (0.61) NAAAHTTCYP2C19EPHX1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102781970-B Catalyst components for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2015-08-12 — — CN disclosed
CN-104736627-A Propylene resin composition for retort pouch-packaging film SUN ALLOMER LTD 2015-06-24 — — CN disclosed
CN-102643370-B Components and catalysts for the polymerization of olefins BASELL POLIOLEFINE SPA 2014-08-13 — — CN disclosed
CN-103476806-A Catalyst components for the polymerization of olefins BASELL POLIOLEFINE SRL 2013-12-25 — — CN disclosed
CN-102781970-A Catalyst components for the polymerization of olefins BASELL POLIOLEFINE ITALIA SRL 2012-11-14 — — CN disclosed
CN-102643370-A Components and catalysts for the polymerization of olefins BASELL POLIOLEFINE SPA 2012-08-22 — — CN disclosed
CN-1681853-A Components and catalysts for the polymerization of olefins BASELL POLIOLEFINE SPA (IT) 2005-10-12 — — CN disclosed
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