SCHEMBL3686447

SCHEMBL3686447

CC1C=C(C23CC4CC(CC(C4)C2)C3)C=C1[Zr]c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL3690963 0.78 PNMT (0.32) PNMT
SCHEMBL4551413 0.76 PNMT (0.34) PNMTNPC1RAB9A
SCHEMBL3686939 0.76 PNMT (0.34) PNMTNPC1RAB9A
Hydrochloric Acid SCHEMBL2841028 0.75 PNMT (0.30) PNMTNPC1RAB9A
SCHEMBL3686917 0.72 KDR (0.38) PNMTNPC1RAB9A
Hydrochloric Acid SCHEMBL674530 0.72 NPC1 (0.32) NPC1RAB9A
Hydrochloric Acid SCHEMBL675709 0.71
Hydrochloric Acid SCHEMBL675152 0.70 NPC1 (0.33) NPC1RAB9A
Hydrochloric Acid SCHEMBL674303 0.70
SCHEMBL4611115 0.69 PNMT (0.52) PNMTNPC1RAB9A

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
EP-1985638-B1 Propylene copolymer, polypropylene composition, use thereof, transition metal compounds, and catalysts for olefin polymerization MITSUI CHEMICALS INC (JP) 2010-02-17 EP disclosed