SCHEMBL6904772

SCHEMBL6904772

CCCCc1ccc(-c2cccc3c2C=C(c2ccc(C)o2)C3[Zr]C2C(c3ccc(C)o3)=Cc3c(-c4ccc(CCCC)cc4)cccc32)cc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALOX12 P18054 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NFKB1 P19838 1/20 0.32
S1PR1 P21453 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
EIF4A1 P60842 4/20 0.32
BRS3 P32247 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
SCHEMBL6901831 0.96 RARB (0.35) HSD11B1MAPTMEN1KMT2ACYP3A4
SCHEMBL6898054 0.94
SCHEMBL6902288 0.90 EDNRB (0.31)
SCHEMBL6901827 0.89 CHRM2 (0.35) MAPTNPC1ALDH1A1NFKB1S1PR1
SCHEMBL6903352 0.89 CHRM2 (0.33) MAPTNPC1ALDH1A1NFKB1S1PR1
SCHEMBL6902351 0.89 EIF4A1 (0.38) HSD11B1EIF4A1BRS3
SCHEMBL6902721 0.85 HSD11B1 (0.37) HSD11B1MAPTMEN1KMT2AALDH1A1
SCHEMBL6903737 0.85 PTGS1 (0.35) HSD11B1MAPTMEN1KMT2ACYP3A4
Hydrochloric Acid SCHEMBL6904729 0.84 HSD11B1 (0.32) HSD11B1MAPTNPC1ALDH1A1NFKB1
SCHEMBL6902435 0.84 TDP1 (0.36) MAPTMEN1KMT2AALOX12NPC1

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