SCHEMBL14650599

SCHEMBL14650599

COc1ccc(CCN2C(=O)c3ccc4c5ccc6c7c(ccc(c8ccc(c3c48)C2=O)c75)C(=O)N(C(C)COCC(C)N2C(=O)c3ccc4c5ccc7c8c(ccc(c9ccc(c3c49)C2=O)c85)C(=O)N(CCc2ccc(OC)cc2)C7=O)C6=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 2/20 0.45
▸ GSK3B P49841 2/20 0.45
▸ TERT O14746 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ HEXA P06865 2/20 0.40
▸ HEXB P07686 2/20 0.40
▸ STAT3 P40763 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ CASP3 P42574 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ADRA1D P25100 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ ADRA1B P35368 1/20 0.38
▸ PARK7 Q99497 1/20 0.38

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
SCHEMBL14650602 0.88 TERT (0.42) TERTKDM4ESTAT3HIF1ACASP3
SCHEMBL14650604 0.88 TERT (0.42) TERTKDM4ESTAT3HIF1ACASP3
SCHEMBL14650630 0.88 CYP1B1 (0.49) TERTKDM4ESTAT3HIF1ACASP3
SCHEMBL14650596 0.87 LMNA (0.52) HEXAHEXBALDH1A1MAPTSMN1; SMN2
SCHEMBL14650523 0.86 GSK3A (0.37) GSK3AGSK3BTERTKDM4EHEXA
SCHEMBL14303139 0.82 GSK3A (0.51) GSK3AGSK3BTERTKDM4EHEXA
SCHEMBL14650611 0.80 CYP1B1 (0.52) GSK3AGSK3BTERTKDM4ESTAT3
SCHEMBL14650601 0.80 STAT3 (0.49) TERTKDM4ESTAT3HIF1AALDH1A1
SCHEMBL14650588 0.79 STAT3 (0.51) TERTKDM4ESTAT3HIF1AALDH1A1
SCHEMBL14650700 0.79 TERT (0.37) TERTKDM4ESTAT3HIF1ACASP3

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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