SCHEMBL14650522

SCHEMBL14650522

COCCOCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(Cc1ccccc1)C5=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ RECQL P46063 2/20 0.38
▸ CYP1B1 Q16678 1/20 0.38
▸ RGS12 O14924 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CASP3 P42574 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ HPGD P15428 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 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
SCHEMBL14650527 0.91 CYP1B1 (0.40) MEN1KMT2ACYP1B1MAPTCASP3
SCHEMBL14650514 0.89 CYP1B1 (0.43) MEN1KMT2ACYP1B1MAPTTDP1
SCHEMBL14650603 0.89 TERT (0.34) TDP1TERT
SCHEMBL14650591 0.89 TERT (0.34) TDP1TERT
SCHEMBL14650589 0.88 TERT (0.33) TERT
SCHEMBL14650605 0.88 TERT (0.33) TERT
SCHEMBL14650521 0.87 KDM4E (0.41) RECQLHDAC3HDAC1HDAC2HDAC10
SCHEMBL14650550 0.87 ALDH1A1 (0.35) MEN1KMT2ARECQLUSP2LMNA
SCHEMBL14650542 0.85 ALDH1A1 (0.36) MEN1KMT2ARECQLUSP2LMNA
SCHEMBL14650509 0.85 STAT3 (0.42) MEN1KMT2ARECQLRGS12LMNA

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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