SCHEMBL393679

SCHEMBL393679

CC(C)c1cccc(C(C)C)c1O[Ti](Cl)(Cl)c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.35
EGFR P00533 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HTR7 P34969 1/20 0.30
HTR2B P41595 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
SCHEMBL715078 0.80 PNMT (0.38) PNMTEGFRNPC1RAB9ACYP1A2
SCHEMBL29617348 0.75 PNMT (0.49) PNMTEGFRNPC1RAB9ACYP1A2
SCHEMBL6672847 0.75 PNMT (0.49) PNMTEGFRNPC1RAB9ACYP1A2
SCHEMBL3385866 0.72 PNMT (0.49) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL395594 0.72 PNMT (0.49) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL5606843 0.70 PNMT (0.44) PNMTNPC1RAB9ACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL393677 0.70 EGFR (0.38) PNMTEGFRNPC1RAB9AHTR7
SCHEMBL7166662 0.70 PNMT (0.46) PNMTEGFRNPC1RAB9ACYP1A2
SCHEMBL3382487 0.69 PNMT (0.49) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL1820172 0.69 PNMT (0.49) PNMTNPC1RAB9ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431659-B2 Prepolymerized catalyst for olefin polymerization, method of producing this prepolymerized catalyst and method of producing olefin polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-04-30 US disclosed
US-20120095173-A1 PREPOLYMERIZED CATALYST FOR OLEFIN POLYMERIZATION, METHOD OF PRODUCING THIS PREPOLYMERIZED CATALYST AND METHOD OF PRODUCING OLEFIN POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-19 US disclosed
US-8101537-B2 Prepolymerized catalyst for olefin polymerization, method of producing this prepolymerized catalyst and method of producing olefin polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-24 US disclosed
US-20100280196-A1 PREPOLYMERIZED CATALYST FOR OLEFIN POLYMERIZATION, METHOD OF PRODUCING THIS PREPOLYMERIZED CATALYST AND METHOD OF PRODUCING OLEFIN POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-04 US disclosed