SCHEMBL6654528

SCHEMBL6654528

CC(O[Ti](Cl)Cl)c1c(-c2cccc3c2Cc2ccccc2-3)ccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HTR1A P08908 2/20 0.32
HTR7 P34969 2/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
PGR P06401 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
SCHEMBL3675869 0.84 BCHE (0.34) PNMTBCHEACHE
Hydrochloric Acid SCHEMBL6654527 0.83 PNMT (0.35) PNMTBCHEACHENPC1RAB9A
SCHEMBL3671258 0.78 PNMT (0.39) PNMTBCHEACHENPC1RAB9A
SCHEMBL3681647 0.74 PNMT (0.33) PNMTBCHEACHENPC1RAB9A
SCHEMBL3679449 0.72 BCHE (0.34) PNMTBCHEACHE
SCHEMBL28753179 0.71 RAB9A (0.40) PNMTBCHEACHENPC1RAB9A
Benzo(A)Fluorene SCHEMBL29432662 0.71 CA1 (0.46) PNMTBCHEACHENPC1RAB9A
Benzo(A)Fluorene SCHEMBL150250 0.71 CA1 (0.46) PNMTBCHEACHENPC1RAB9A
Benzo(A)Fluorene SCHEMBL29413802 0.71 CA1 (0.46) PNMTBCHEACHENPC1RAB9A
Benzo(A)Fluorene SCHEMBL29620372 0.71 CA1 (0.46) PNMTBCHEACHENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040242410-A1 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-12-02 US disclosed
EP-1426379-A1 TRANSITION METAL COMPLEX,CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME Sumitomo Chemical Company, Limited (JP) 2004-06-09 EP disclosed