SCHEMBL6900960

SCHEMBL6900960

[Li]C1C(c2ccc(C)o2)=Cc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PKM P14618 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 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 SCHEMBL6901165 0.81 CHRM2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6897846 0.81 CHRM2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6902186 0.78 CHRM2 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL5090888 0.72 LMNA (0.33) ALDH1A1SMN1; SMN2LMNATDP1
SCHEMBL15863964 0.70 CHRM2 (0.31) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL7722824 0.69
SCHEMBL7735539 0.67 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6904139 0.66 SLC6A2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL15863539 0.65 TDP1 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12578009 0.63 TDP1 (0.67) CHRM2CHRM4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1033371-B1 Transition metal compound, catalyst system, process for the preparation thereof and its use for the polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2004-01-28 EP disclosed
US-6458982-B1 CATALYST SYSTEM COMPRISING AT LEAST ONE METALLOCENE AND AT LEAST ONE COCATALYST. ON SUPPORT. TARGOR GMBH (DE) 2002-10-01 US disclosed
EP-1033371-A1 Transition metal compound, catalyst system, process for the preparation thereof and its use for the polymerization of olefins TARGOR GmbH (DE) 2000-09-06 EP disclosed