SCHEMBL14650705

SCHEMBL14650705

CCC(COCC(C)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CCCN1CCOCC1)C5=O)(COCC(C)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CCCN1CCOCC1)C5=O)COCC(C)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CCCN1CCOCC1)C5=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 4/20 0.43
▸ HTR1A P08908 3/20 0.39
▸ DRD2 P14416 2/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ MAOB P27338 4/20 0.39
▸ STAT3 P40763 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ GRM5 P41594 1/20 0.37
▸ TNFRSF1A P19438 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ DRD3 P35462 1/20 0.35

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
SCHEMBL14650636 0.91 TERT (0.49) TERTHTR1ADRD2HTR6MAOB
SCHEMBL14650669 0.86 STAT3 (0.44) TERTSTAT3HIF1AMEN1KMT2A
SCHEMBL14650664 0.83 STAT3 (0.42) TERTSTAT3HIF1AMEN1KMT2A
SCHEMBL14650685 0.81 CYP1B1 (0.46) TERTMAOBSTAT3HIF1AMEN1
SCHEMBL14650540 0.79 TERT (0.40) TERTHTR1ADRD2HTR6MAOB
SCHEMBL30574144 0.79 TERT (0.65) TERTHTR1ADRD2HTR6STAT3
SCHEMBL14650695 0.78 TERT (0.33) TERTSTAT3HIF1A
SCHEMBL14650683 0.77 STAT3 (0.37) TERTSTAT3HIF1AMEN1KMT2A
SCHEMBL14650700 0.77 TERT (0.37) TERTSTAT3HIF1AMEN1KMT2A
SCHEMBL14650588 0.76 STAT3 (0.51) TERTSTAT3HIF1AMEN1KMT2A

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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