SCHEMBL28119166

SCHEMBL28119166

CC(C)(C)C1=CCC(c2ccc3c(c2[Zr])Cc2ccccc2-3)=C1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.36
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PGR P06401 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31

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
Hydrochloric Acid SCHEMBL8676755 0.83 PNMT (0.35) PNMTNPC1RAB9APGRCA1
SCHEMBL5718001 0.82 PNMT (0.39) PNMTNPC1RAB9APGR
SCHEMBL6211217 0.79 PNMT (0.33) PNMT
Hydrochloric Acid SCHEMBL3693755 0.79 PNMT (0.33) PNMT
SCHEMBL9280866 0.79 PNMT (0.33) PNMT
Hydrochloric Acid SCHEMBL8529709 0.78 NPC1 (0.34) PNMTNPC1RAB9A
SCHEMBL2134685 0.78 PNMT (0.32) PNMTPGR
Hydrochloric Acid SCHEMBL5688812 0.78 NPC1 (0.34) PNMTNPC1RAB9A
Hydrochloric Acid SCHEMBL2135868 0.78 PNMT (0.32) PNMT
SCHEMBL3806739 0.78 PNMT (0.32) PNMT

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
CN-104755511-B Propylene copolymer compositions and preparation method thereof 埃克森美孚化学专利公司 2016-12-28 CN disclosed