SCHEMBL6897529

SCHEMBL6897529

C1=C(c2ccc(-c3ccccc3)o2)C([Zr]C2C(c3ccc(-c4ccccc4)o3)=Cc3c(-c4ccccc4)cccc32)c2cccc(-c3ccccc3)c21

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
NQO2 P16083 2/20 0.32
CYP2E1 P05181 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2A6 P11509 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2B6 P20813 1/20 0.31
CYP2C19 P33261 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
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
SCHEMBL6904337 0.93 NPC1 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6903486 0.91 NQO2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6904300 0.91 CHRM2 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6895374 0.89 CHRM2 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6898596 0.89 NQO2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6898578 0.88 ALDH1A1 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6905043 0.88 ALDH1A1 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6903400 0.88 EIF4A1 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6902347 0.87 ALDH1A1 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6902643 0.86 CHRM2 (0.31) 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 1 patent. 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 claimed