SCHEMBL3680022

SCHEMBL3680022

CC1=Cc2c(-c3cccc4ccccc34)cccc2C1[Zr](Cl)(Cl)C1c2cc(C)ccc2-c2ccc(C)cc21

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
CYP1A2 P05177 1/20 0.30
CYP2A6 P11509 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
SCHEMBL2525070 0.89 CA12 (0.33) MAOAMAOBCA12CA1CA2
SCHEMBL21980377 0.84 CA12 (0.31) CA12CA1CA2CA9CYP2A6
SCHEMBL3685084 0.84 CYP2A6 (0.34) CYP1A2CYP2A6
SCHEMBL2524671 0.81 NPC1 (0.30)
SCHEMBL7644806 0.80 CA12 (0.30) CA12CA1CA2CA9
SCHEMBL4927713 0.78 KDM4E (0.30) CA12CA1CA2CA9
SCHEMBL28266415 0.78 ALDH1A1 (0.34) MAOAMAOBCA12CA1CA2
SCHEMBL8573143 0.77 KDM1A (0.31) CA12CA1CA2CA9CYP2A6
SCHEMBL7629329 0.77 NPC1 (0.33) CA12CA1CA2CA9CYP2A6
Hydrochloric Acid SCHEMBL3680021 0.77 MAOA (0.38) MAOAMAOBCA12CA1CA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678866-B2 Polyethylene composition and process for producing same TOSOH CORPORATION (JP) 2010-03-16 US disclosed
US-20040214953-A1 Polyethylene composition and process for producing same TOSOH CORPORATION 2004-10-28 US disclosed