SCHEMBL6904301

SCHEMBL6904301

CCCCc1ccc(-c2cccc3c2C=C([Zr]C2=Cc4c(-c5ccc(CCCC)cc5)cccc4C2c2ccc(C)o2)C3c2ccc(C)o2)cc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 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

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
SCHEMBL6904492 0.96 HSD17B10 (0.34) HSD11B1MEN1MAPTKMT2ACYP3A4
SCHEMBL6902981 0.94 S1PR1 (0.31) MEN1MAPTKMT2A
SCHEMBL6901081 0.89 KDM4E (0.32)
Hydrochloric Acid SCHEMBL6903351 0.84 HSD11B1 (0.32) HSD11B1
SCHEMBL6903792 0.84 ALDH1A1 (0.32) MEN1MAPTKMT2AALOX12
SCHEMBL6902049 0.83 ALDH1A1 (0.35) MEN1MAPTKMT2AALOX12
SCHEMBL6903054 0.81 MAPT (0.30) MEN1MAPTKMT2A
SCHEMBL6900000 0.81
Hydrochloric Acid SCHEMBL6897842 0.81 RARB (0.33) HSD11B1MEN1MAPTKMT2A
SCHEMBL6897836 0.81 BRD4 (0.33)

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