SCHEMBL7566617

SCHEMBL7566617

c1ccc(C[Zr](Cc2ccccc2)(Cc2ccccc2)c2cccc3c2Cc2ccccc2-3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.46
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
APAF1 O14727 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
HTR7 P34969 1/20 0.35
HTR2B P41595 1/20 0.35
SRD5A2 P31213 1/20 0.35
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
DRD3 P35462 2/20 0.35
GAA P10253 2/20 0.34
CASP7 P55210 2/20 0.34
CASP1 P29466 1/20 0.34
BLM P54132 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL8755070 0.87 PNMT (0.46) PNMTRAB9ANPC1ALDH1A1MAPT
SCHEMBL8755327 0.76 PNMT (0.47) PNMTRAB9ANPC1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL6558556 0.75 PNMT (0.46) PNMTRAB9ANPC1ALDH1A1MAPT
SCHEMBL7602119 0.74 PNMT (0.49) PNMTRAB9ANPC1ALDH1A1MAPT
SCHEMBL3384059 0.74 PNMT (0.49) PNMTRAB9ANPC1ALDH1A1MAPT
SCHEMBL30536713 0.74 PNMT (0.49) PNMTRAB9ANPC1ALDH1A1MAPT
SCHEMBL1131322 0.74 PNMT (0.49) PNMTRAB9ANPC1ALDH1A1MAPT
SCHEMBL618217 0.74 PNMT (0.49) PNMTRAB9ANPC1ALDH1A1MAPT
SCHEMBL3385391 0.74 PNMT (0.49) PNMTRAB9ANPC1ALDH1A1MAPT
SCHEMBL7878851 0.74 PNMT (0.49) PNMTRAB9ANPC1ALDH1A1MAPT

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-20020103315-A1 Catalyst composition for the polymerization of olefins PETERSON THOMAS H (US) 2002-08-01 US disclosed
US-20020002256-A1 CATALYST COMPOSITION FOR THE POLYMERIZATION OF OLEFINS UNIVATION TECHNOLOGIES, L.L.C. 2002-01-03 US disclosed
EP-1115760-A1 MONOCYCLOPENTADIENYL METAL CATALYST COMPOSITION FOR THE POLYMERIZATION OF OLEFINS Univation Technologies LLC (US) 2001-07-18 EP disclosed
WO-2000015676-A1 MONOCYCLOPENTADIENYL METAL CATALYST COMPOSITION FOR THE POLYMERIZATION OF OLEFINS UNIVATION TECHNOLOGIES, LLC (US) 2000-03-23 WO disclosed