SCHEMBL6903706

SCHEMBL6903706

Cc1ccc(C2=Cc3c(-c4ccc([Si](C)(C)C)cc4)cccc3C2[Zr]C2C(c3ccc(C)o3)=Cc3c(-c4ccc([Si](C)(C)C)cc4)cccc32)o1

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.31
HPGD P15428 4/20 0.31
KDM4E B2RXH2 3/20 0.31
GAA P10253 3/20 0.31
LMNA P02545 2/20 0.31
HSD17B10 Q99714 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TSHR P16473 1/20 0.31
MAPT P10636 3/20 0.30
PKM P14618 2/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
GLA P06280 1/20 0.30
ALOX15 P16050 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
ALOX12 P18054 1/20 0.30
HTT P42858 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
SCHEMBL6902435 0.89 TDP1 (0.36) ALDH1A1HPGDKDM4EGAALMNA
SCHEMBL6898578 0.88 ALDH1A1 (0.37) ALDH1A1HPGDKDM4EGAALMNA
SCHEMBL6904300 0.87 CHRM2 (0.32) ALOX15
SCHEMBL6902288 0.86 EDNRB (0.31)
SCHEMBL6905004 0.85 CHRM2 (0.32)
SCHEMBL6903036 0.85 GSK3B (0.33)
SCHEMBL6901142 0.85 S1PR1 (0.33) ALDH1A1NPC1RAB9A
SCHEMBL6901791 0.84
SCHEMBL6898054 0.83
Hydrochloric Acid SCHEMBL6903247 0.83 GSK3B (0.31)

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