SCHEMBL14650679

SCHEMBL14650679

CCC(COCC(C)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(C1CCCCC1)C5=O)(COCC(C)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(C1CCCCC1)C5=O)COCC(C)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(C1CCCCC1)C5=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TERT O14746 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ ADRB1 P08588 1/20 0.33
▸ ADRB3 P13945 1/20 0.33
▸ MCOLN3 Q8TDD5 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ ADRA1D P25100 1/20 0.31

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
SCHEMBL14650633 0.89 KMT2A (0.42) ALDH1A1MAPK1KMT2AMEN1KDM4E
SCHEMBL14650677 0.80 KMT2A (0.38) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL14650669 0.79 STAT3 (0.44) ALDH1A1MAPK1KMT2AMEN1KDM4E
SCHEMBL14650695 0.79 TERT (0.33) TERTTDP1
SCHEMBL14650721 0.78 KMT2A (0.34) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL14650706 0.77 MCHR1 (0.37) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL14650664 0.77 STAT3 (0.42) ALDH1A1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL14650515 0.77 KMT2A (0.37) ALDH1A1MAPK1KMT2AMEN1KDM4E
SCHEMBL14650694 0.76 POLB (0.43) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL14650609 0.75 CYP1B1 (0.49) ALDH1A1MAPK1KMT2AMEN1KDM4E

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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