SCHEMBL6902981

SCHEMBL6902981

CCCc1ccc(-c2cccc3c2C=C([Zr]C2=Cc4c(-c5ccc(CCC)cc5)cccc4C2c2ccc(C)o2)C3c2ccc(C)o2)cc1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL6904301 0.94 HSD11B1 (0.32) MEN1MAPTKMT2A
SCHEMBL6904492 0.92 HSD17B10 (0.34) S1PR1MEN1ALDH1A1MAPTKMT2A
SCHEMBL6901081 0.91 KDM4E (0.32) ALDH1A1
SCHEMBL6903792 0.86 ALDH1A1 (0.32) MEN1ALDH1A1MAPTKMT2ANPSR1
SCHEMBL6902049 0.85 ALDH1A1 (0.35) MEN1ALDH1A1MAPTKMT2ANPSR1
Hydrochloric Acid SCHEMBL6898684 0.84 S1PR1 (0.30) S1PR1
SCHEMBL6903054 0.83 MAPT (0.30) MEN1ALDH1A1MAPTKMT2A
SCHEMBL6900000 0.83
SCHEMBL6897836 0.82 BRD4 (0.33) S1PR1
SCHEMBL6902623 0.82 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