SCHEMBL7601267

SCHEMBL7601267

Cc1cc(C)c(-c2ccc3c(c2)Cc2c-3ccc(-c3c(C)cc(C)cc3C)c2[Zr](C)(C)c2c(-c3cccc4ccccc34)ccc3c2Cc2cc(-c4cccc5ccccc45)ccc2-3)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
BRD4 O60885 1/20 0.31
ADORA1 P30542 1/20 0.30
HTR1A P08908 2/20 0.30
HTR7 P34969 2/20 0.30
MCL1 Q07820 1/20 0.30
ACMSD Q8TDX5 1/20 0.30
ENPP3 O14638 1/20 0.30
ENPP1 P22413 1/20 0.30
TLR8 Q9NR97 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
SCHEMBL796972 0.86 CRHR1 (0.33) CA12CA1CA2CA9HTR7
SCHEMBL7599187 0.83 CA12 (0.34) CA12CA1CA2CA9BRD4
Hydrochloric Acid SCHEMBL8604781 0.82 CA12 (0.34) CA12CA1CA2CA9BRD4
Hydrochloric Acid SCHEMBL8606098 0.82 CA12 (0.34) CA12CA1CA2CA9BRD4
SCHEMBL797655 0.77 CRHR1 (0.33) CA12CA1CA2CA9HTR7
SCHEMBL4622247 0.72 HTR7 (0.32) CA12CA1CA2CA9HTR7
SCHEMBL3137217 0.71 MCL1 (0.47) CA12CA1CA2CA9MCL1
SCHEMBL29785059 0.71 MCL1 (0.47) CA12CA1CA2CA9MCL1
SCHEMBL7601274 0.71 CA12 (0.37) CA12CA1CA2CA9MCL1
Hydrochloric Acid SCHEMBL27463386 0.70 MCL1 (0.38) CA12CA1CA2CA9HTR1A

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-6410665-B1 POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN BASELL POLYOLEFINE GMBH (DE) 2002-06-25 US claimed
US-6410665-B1 POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN BASELL POLYOLEFINE GMBH (DE) 2002-06-25 US disclosed