SCHEMBL14650577

SCHEMBL14650577

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

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL14650606 0.93 ALDH1A1 (0.30) —
SCHEMBL14650553 0.90 CA12 (0.32) CA12CA1CA2CA9
SCHEMBL14650583 0.88 TERT (0.30) —
SCHEMBL14650554 0.88 CA2 (0.48) CA12CA1CA2CA9
SCHEMBL14650571 0.87 CA12 (0.31) CA12CA1CA2CA9
SCHEMBL14650541 0.87 CA12 (0.31) CA12CA1CA2CA9
SCHEMBL14650559 0.86 CA12 (0.30) CA12CA1CA2CA9
SCHEMBL14650564 0.86 CA12 (0.34) CA12CA1CA2CA9
SCHEMBL14650593 0.84 POLB (0.32) —
SCHEMBL14650542 0.84 ALDH1A1 (0.36) MEN1KMT2A

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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