SCHEMBL14650523

SCHEMBL14650523

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(CCc1ccc(OC)cc1)C5=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 2/20 0.37
▸ GSK3B P49841 2/20 0.37
▸ TERT O14746 2/20 0.34
▸ HEXA P06865 2/20 0.34
▸ HEXB P07686 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ STAT3 P40763 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CA9 Q16790 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
SCHEMBL14650533 0.91 TERT (0.34) TERTALDH1A1KDM4ESTAT3HIF1A
SCHEMBL14650518 0.91 TERT (0.34) TERTALDH1A1STAT3HIF1ARAB9A
SCHEMBL14650527 0.91 CYP1B1 (0.40) TERTALDH1A1KDM4ESTAT3HIF1A
SCHEMBL14650534 0.90 LMNA (0.44) HEXAHEXBALDH1A1RAB9ALMNA
SCHEMBL14650509 0.86 STAT3 (0.42) TERTALDH1A1KDM4ESTAT3HIF1A
SCHEMBL14650517 0.86 STAT3 (0.42) TERTALDH1A1KDM4ESTAT3HIF1A
SCHEMBL14650514 0.86 CYP1B1 (0.43) GSK3AGSK3BTERTALDH1A1KDM4E
SCHEMBL14650599 0.86 GSK3A (0.45) GSK3AGSK3BTERTHEXAHEXB
SCHEMBL14650591 0.86 TERT (0.34) TERTSTAT3HIF1A
SCHEMBL14650603 0.86 TERT (0.34) TERTSTAT3HIF1A

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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