SCHEMBL4551413

SCHEMBL4551413

CC1C=C(C(C)(C)C)C=C1[Zr]c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL3686939 0.81 PNMT (0.34) PNMTNPC1RAB9A
SCHEMBL27481729 0.78 PNMT (0.38) PNMTNPC1RAB9A
SCHEMBL3686917 0.77 KDR (0.38) PNMTNPC1RAB9A
Hydrochloric Acid SCHEMBL6656066 0.76 PNMT (0.36) PNMTNPC1RAB9A
SCHEMBL3686447 0.76 PNMT (0.31) PNMTNPC1RAB9A
SCHEMBL3692500 0.76 HTR1A (0.34) PNMTNPC1RAB9A
SCHEMBL3148725 0.75
SCHEMBL3682618 0.75 PNMT (0.35) PNMTNPC1RAB9A
SCHEMBL1044149 0.74 PNMT (0.35) PNMTNPC1RAB9A
SCHEMBL30343000 0.73 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-2053086-A1 PROPYLENE RESIN COMPOSITION FOR PACKAGING MATERIAL Mitsui Chemicals, Inc. (JP) 2009-04-29 EP disclosed