SCHEMBL234480

SCHEMBL234480

CC(C)(C)COC(=O)C1CCCCC1C(=O)OCC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.50
CYP3A4 P08684 1/20 0.50
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
FKBP1A P62942 2/20 0.36
ALDH1A1 P00352 5/20 0.36
GAA P10253 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC6A2 P23975 1/20 0.35
EPHX1 P07099 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
THRB P10828 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32

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
SCHEMBL10823010 0.92 TP53 (0.44) TP53CYP3A4ALDH1A1
SCHEMBL10770968 0.89 TP53 (0.42) TP53CYP3A4ADRB2ADRB1ADRB3
SCHEMBL12306236 0.85 ADRB2 (0.50) ADRB2ADRB1ADRB3ALDH1A1SMN1; SMN2
SCHEMBL11401782 0.83 ALDH1A1 (0.51) ADRB2ADRB1ADRB3ALDH1A1SMN1; SMN2
SCHEMBL14422628 0.82 CYP19A1 (0.38) TP53CYP3A4FKBP1AALDH1A1GAA
SCHEMBL28405577 0.82 TP53 (0.53) TP53CYP3A4FKBP1AALDH1A1THRB
SCHEMBL234644 0.82 TP53 (0.53) TP53CYP3A4FKBP1AALDH1A1THRB
SCHEMBL6900183 0.82 TP53 (0.53) TP53CYP3A4FKBP1AALDH1A1THRB
SCHEMBL13011542 0.82 TP53 (0.53) TP53CYP3A4FKBP1AALDH1A1THRB
SCHEMBL1170182 0.80 TP53 (0.52) TP53CYP3A4ALDH1A1THRBATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2636688-B1 METHOD FOR PRODUCING SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION, CATALYST FOR OLEFIN POLYMERIZATION, AND OLEFIN POLYMERS TOHO TITANIUM CO LTD (JP) 2016-11-16 EP disclosed
EP-2360190-B1 SOLID CATALYST COMPONENT AND CATALYST FOR POLYMERIZATION OF OLEFINS, AND PROCESS FOR PRODUCTION OF OLEFIN POLYMERS USING SAME TOHO TITANIUM CO LTD (JP) 2015-10-14 EP disclosed
EP-2636688-A1 METHOD FOR PRODUCING SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION, CATALYST FOR OLEFIN POLYMERIZATION, AND OLEFIN POLYMERS Toho Titanium Co., Ltd. (JP) 2013-09-11 EP disclosed
US-8426537-B2 Solid catalyst component and catalyst for polymerization of olefins, and process for production of olefin polymers using same TOHO TITANIUM CO., LTD. (JP) 2013-04-23 US disclosed
US-20120004378-A1 SOLID CATALYST COMPONENT AND CATALYST FOR POLYMERIZATION OF OLEFINS, AND PROCESS FOR PRODUCTION OF OLEFIN POLYMERS USING SAME TOHO TITANIUM CO., LTD (JP) 2012-01-05 US disclosed
EP-2360190-A1 SOLID CATALYST COMPONENT AND CATALYST FOR POLYMERIZATION OF OLEFINS, AND PROCESS FOR PRODUCTION OF OLEFIN POLYMERS USING SAME Toho Titanium CO., LTD. (JP) 2011-08-24 EP disclosed
EP-0205829-A1 Non-aqueous poly(urethane-urea) PPG INDUSTRIES, INC. (US) 1986-12-30 EP disclosed
US-4590254-A SOLVENT BASED COATINGS PPG INDUSTRIES, INC. (US) 1986-05-20 US disclosed