SCHEMBL14650554

SCHEMBL14650554

COCCOCC(C)OCC(C)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(c1ccc(S(N)(=O)=O)cc1)C5=O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 20/20 0.48
▸ CA9 Q16790 18/20 0.48
▸ CA1 P00915 15/20 0.48
▸ CA12 O43570 11/20 0.48
▸ CA4 P22748 3/20 0.39
▸ SCN2A Q99250 1/20 0.38
▸ CA7 P43166 1/20 0.33

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
SCHEMBL14650564 0.89 CA12 (0.34) CA2CA9CA1CA12
SCHEMBL14650577 0.88 CA12 (0.34) CA2CA9CA1CA12
SCHEMBL14650593 0.87 POLB (0.32) —
SCHEMBL14650542 0.87 ALDH1A1 (0.36) —
SCHEMBL14650550 0.86 ALDH1A1 (0.35) —
SCHEMBL14650553 0.86 CA12 (0.32) CA2CA9CA1CA12
SCHEMBL14650625 0.86 CA2 (0.60) CA2CA9CA1CA12CA4
SCHEMBL14650558 0.85 MCHR1 (0.41) —
SCHEMBL14650591 0.84 TERT (0.34) —
SCHEMBL14650603 0.84 TERT (0.34) —

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-9051468-B2 Dyes for polymer coloration, their preparation and their use CLARIANT INTERNATIONAL LTD (CH) 2015-06-09 — — US disclosed
US-20130019415-A1 DYES FOR POLYMER COLORATION, THEIR PREPARATION AND THEIR USE DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2013-01-24 — — US disclosed
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