SCHEMBL9468655

SCHEMBL9468655

CC(C)C(c1ccccc1)c1cc(C(c2ccccc2)C(C)C)c(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.45
RAB9A P51151 7/20 0.45
LMNA P02545 2/20 0.41
POLB P06746 2/20 0.40
KDM4E B2RXH2 6/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 5/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.33
CASP3 P42574 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
CYP17A1 P05093 1/20 0.32
TYR P14679 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 3/20 0.30
KMT2A Q03164 3/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30

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
SCHEMBL9468564 0.85 NPC1 (0.40) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL947943 0.85 NPC1 (0.41) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL466590 0.81 NPC1 (0.47) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL7172078 0.79 NPC1 (0.48) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL4357048 0.79 NPC1 (0.50) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL574153 0.77 NPC1 (0.46) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL9183011 0.76 NPC1 (0.58) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL11620211 0.75 NPC1 (0.45) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL11615531 0.75 NPC1 (0.50) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL28368729 0.75 NPC1 (0.44) NPC1RAB9ALMNAPOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5264406-A Alkali or alkaline metal hypophosphites with amines INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1993-11-23 US disclosed
US-5264541-A Nylon 6 synthesis with water, alkali metal hypophoshite catalyst and amine cocatalyst INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1993-11-23 US disclosed
US-5260246-A Comprising alkali metal/alkaline earth hypophosphites and amine or benzotriazole cocatalysts INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1993-11-09 US disclosed