SCHEMBL14650694

SCHEMBL14650694

CCC(COCC(C)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(c1cccc2ccccc12)C5=O)(COCC(C)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(c1cccc2ccccc12)C5=O)COCC(C)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(c1cccc2ccccc12)C5=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.43
▸ KMT2A Q03164 8/20 0.38
▸ MEN1 O00255 6/20 0.38
▸ ELANE P08246 1/20 0.37
▸ FNTA P49354 1/20 0.37
▸ FNTB P49356 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.35
▸ GAA P10253 3/20 0.35
▸ USP2 O75604 2/20 0.35
▸ ENPP2 Q13822 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ CASP1 P29466 3/20 0.33
▸ CASP7 P55210 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 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
SCHEMBL14650621 0.91 POLB (0.50) POLBKMT2AMEN1ELANEFNTA
SCHEMBL14650677 0.85 KMT2A (0.38) POLBKMT2AMEN1ALDH1A1GAA
SCHEMBL14650687 0.85 KDM4E (0.42) KMT2AMEN1ALDH1A1GAAUSP2
SCHEMBL14650706 0.81 MCHR1 (0.37) POLBKMT2AMEN1ALDH1A1GAA
SCHEMBL14650697 0.81 ESR1 (0.32) KMT2A
SCHEMBL14650721 0.80 KMT2A (0.34) POLBKMT2AMEN1ALDH1A1GAA
SCHEMBL14650728 0.79 NPC1 (0.40) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL14650549 0.79 POLB (0.40) POLBKMT2AMEN1ELANEFNTA
SCHEMBL14650684 0.79 MAPT (0.41) POLBKMT2AMEN1ALDH1A1GAA
SCHEMBL14650669 0.78 STAT3 (0.44) POLBKMT2AMEN1ALDH1A1USP2

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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