SCHEMBL14650550

SCHEMBL14650550

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(c1ccccc1)C5=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.35
▸ POLB P06746 2/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ USP2 O75604 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KDM4E B2RXH2 5/20 0.35
▸ MAPT P10636 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KEAP1 Q14145 1/20 0.34
▸ NFE2L2 Q16236 1/20 0.34
▸ TDP1 Q9NUW8 2/20 0.33
▸ APOBEC3A P31941 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ CASP6 P55212 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ALOX5 P09917 1/20 0.32

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
SCHEMBL14650542 0.99 ALDH1A1 (0.36) ALDH1A1POLBKMT2AUSP2MEN1
SCHEMBL14650558 0.93 MCHR1 (0.41) ALDH1A1POLBKMT2AUSP2MEN1
SCHEMBL14650557 0.92 MCHR1 (0.38) POLBKMT2AMEN1HTTMCHR1
SCHEMBL14650591 0.91 TERT (0.34) TDP1
SCHEMBL14650603 0.91 TERT (0.34) TDP1
SCHEMBL14650589 0.90 TERT (0.33) —
SCHEMBL14650605 0.90 TERT (0.33) —
SCHEMBL14650593 0.89 POLB (0.32) ALDH1A1POLBKDM4ETDP1HPGD
SCHEMBL14650522 0.87 MEN1 (0.38) ALDH1A1KMT2AUSP2MEN1KDM4E
SCHEMBL14650554 0.86 CA2 (0.48) —

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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