SCHEMBL6155719

SCHEMBL6155719

Cc1ccc(N(c2ccc(O[Si](C)(C)C(C)(C)C)cc2)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
LPL P06858 12/20 0.38
LIPG Q9Y5X9 12/20 0.38
HIF1A Q16665 1/20 0.36
PREP P48147 1/20 0.34
SNCA P37840 1/20 0.34
AAK1 Q2M2I8 1/20 0.33
DGAT1 O75907 2/20 0.32
CA12 O43570 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 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
SCHEMBL15499789 0.87 CA1 (0.50) CA1CA2CA9LPLLIPG
SCHEMBL18016692 0.82 LPL (0.51) CA1CA2CA9LPLLIPG
SCHEMBL12890199 0.82 LPL (0.51) CA1CA2CA9LPLLIPG
SCHEMBL1505745 0.82 LPL (0.51) CA1CA2CA9LPLLIPG
SCHEMBL6158879 0.78 ALDH1A1 (0.41) CA1CA9PREPCA12
SCHEMBL1963035 0.78 LIPG (0.59) CA1CA2CA9LPLLIPG
SCHEMBL4360484 0.78 LIPG (0.59) CA1CA2CA9LPLLIPG
SCHEMBL16420981 0.77 LIPG (0.57) CA1CA2CA9LPLLIPG
SCHEMBL21138915 0.77 LIPG (0.57) CA1CA2CA9LPLLIPG
SCHEMBL12292077 0.76 LPL (0.58) CA1CA2CA9LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1609456-A1 Use of polycationic azo compounds for dyeing keratinous fibres L'OREAL (FR) 2005-12-28 EP disclosed
US-20050165185-A1 Preparation of a conjugated molecule and materials for use therein MERCK PATENT GMBH (DE) 2005-07-28 US disclosed
EP-1499662-A1 PREPATION OF A CONJUGATED MOLECULE AND MATERIALS FOR USE THEREIN Avecia Limited (GB) 2005-01-26 EP disclosed
WO-2003089499-A1 PREPATION OF A CONJUGATED MOLECULE AND MATERIALS FOR USE THEREIN AVECIA LIMITED (GB) 2003-10-30 WO disclosed