SCHEMBL8044771

SCHEMBL8044771

COCCOc1ccc(OCCOC)c(C#N)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.44
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
AR P10275 2/20 0.40
SQOR Q9Y6N5 1/20 0.40
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
CYP2C9 P11712 1/20 0.37
GAA P10253 1/20 0.36
USP8 P40818 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 1/20 0.35
EGFR P00533 1/20 0.34

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
SCHEMBL6888043 0.82 AR (0.47) NPC1RAB9AARSQORLMNA
SCHEMBL7864724 0.81 ALDH1A1 (0.44) FDPSARMAPTGAAPOLB
SCHEMBL3807595 0.81 NPC1 (0.44) FDPSNPC1RAB9AARSQOR
SCHEMBL1154627 0.81 SQOR (0.45) NPC1RAB9AARSQORLMNA
SCHEMBL3821367 0.81 NPC1 (0.44) FDPSNPC1RAB9AARSQOR
SCHEMBL8623713 0.80 NCF1 (0.40) FDPSNPC1RAB9ALMNAMAPT
SCHEMBL7050071 0.79 HPGD (0.46) ARLMNAMAPTCYP2C9GAA
SCHEMBL29837403 0.79 HPGD (0.46) ARLMNAMAPTCYP2C9GAA
SCHEMBL25233862 0.78 SQOR (0.38) FDPSNPC1RAB9AARSQOR
SCHEMBL16982292 0.78 AR (0.50) NPC1RAB9AARSQORLMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0558449-B1 Complexes of chelating ligands and process for their preparation NOVARTIS AG (CH) 2000-09-06 EP disclosed
US-5686439-A Chelate complexes and processes for their preparation NOVARTIS CORPORATION (US) 1997-11-11 US disclosed
US-5670491-A Chelate complexes and processes for their preparation CIBA-GEIGY CORPORATION (US) 1997-09-23 US disclosed
US-5358940-A Chelate complexes and processes for their preparation CIBA-GEIGY CORPORATION (US) 1994-10-25 US disclosed
EP-0558449-A1 Complexes of chelating ligands and process for their preparation CIBA-GEIGY AG (CH) 1993-09-01 EP disclosed