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SCHEMBL14650693

SCHEMBL14650693

CCC(COCC(C)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(c1ccc(S(=O)(=O)CCNc2cc(C)cc(C)c2)cc1)C5=O)(COCC(C)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(c1ccc(S(=O)(=O)CCNc2cc(C)cc(C)c2)cc1)C5=O)COCC(C)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(c1ccc(S(=O)(=O)CCNc2cc(C)cc(C)c2)cc1)C5=O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.31
▸ KMT2A Q03164 1/20 0.30
▸ RXFP1 Q9HBX9 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
SCHEMBL14650719 0.87 CA12 (0.32) CA12CA1CA2CA9NPSR1
SCHEMBL14650718 0.86 CA12 (0.35) CA12CA1CA2CA9NPSR1
SCHEMBL14650559 0.83 CA12 (0.30) CA12CA1CA2CA9
SCHEMBL14650686 0.82 TERT (0.31) NPSR1
SCHEMBL14650699 0.81 CA12 (0.32) CA12CA1CA2CA9NPSR1
SCHEMBL14650710 0.81 ALDH1A1 (0.33) CA12CA1CA2CA9
SCHEMBL14650721 0.80 KMT2A (0.34) CA12CA1CA2CA9KMT2A
SCHEMBL14650726 0.80 CA12 (0.36) CA12CA1CA2CA9NPSR1
SCHEMBL14650709 0.80 CA12 (0.31) CA12CA1CA2CA9
SCHEMBL14650702 0.80 — —

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 3 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-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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