SCHEMBL14650558

SCHEMBL14650558

COCCOCC(C)OCC(C)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(c1ccc(-c2ccccc2)cc1)C5=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 2/20 0.41
▸ PDE6D O43924 1/20 0.34
▸ HPSE Q9Y251 2/20 0.34
▸ PLA2G1B P04054 1/20 0.32
▸ ATG4B Q9Y4P1 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ POLB P06746 3/20 0.32
▸ KMT2A Q03164 4/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ USP2 O75604 2/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ P2RX3 P56373 1/20 0.31
▸ FAAH O00519 1/20 0.31
▸ MGLL Q99685 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KEAP1 Q14145 1/20 0.31
▸ NFE2L2 Q16236 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TDP1 Q9NUW8 2/20 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
SCHEMBL14650542 0.94 ALDH1A1 (0.36) MCHR1PLA2G1BATG4BALDH1A1POLB
SCHEMBL14650550 0.93 ALDH1A1 (0.35) MCHR1PLA2G1BATG4BALDH1A1POLB
SCHEMBL14650557 0.91 MCHR1 (0.38) MCHR1PLA2G1BATG4BPOLBKMT2A
SCHEMBL14650593 0.89 POLB (0.32) ALDH1A1POLBKDM4ETDP1APAF1
SCHEMBL14650591 0.86 TERT (0.34) TDP1
SCHEMBL14650603 0.86 TERT (0.34) TDP1
SCHEMBL14650554 0.85 CA2 (0.48) —
SCHEMBL14650638 0.85 PDE6D (0.41) MCHR1PDE6DPLA2G1BATG4BALDH1A1
SCHEMBL14650589 0.85 TERT (0.33) —
SCHEMBL14650605 0.85 TERT (0.33) —

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
Send feedback