SCHEMBL9468547

SCHEMBL9468547

CC(C)(C)C(c1ccccc1)(c1cc(Cc2ccccc2)c(O)c(-n2nc3ccccc3n2)c1)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
BCL2 P10415 1/20 0.34
BCL2L1 Q07817 1/20 0.34
PTPN1 P18031 3/20 0.33
NPY5R Q15761 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN6 P29350 1/20 0.33

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
SCHEMBL14323123 0.88 NPC1 (0.41) NPC1RAB9ALMNAPOLBBCL2
SCHEMBL14323973 0.88 NPC1 (0.43) NPC1RAB9ALMNAPOLBBCL2
SCHEMBL31267653 0.82 NPC1 (0.44) NPC1RAB9ALMNAPOLB
SCHEMBL31079418 0.82 NPC1 (0.44) NPC1RAB9ALMNAPOLB
SCHEMBL675255 0.82 NPC1 (0.44) NPC1RAB9ALMNAPOLB
SCHEMBL9467397 0.82 NPC1 (0.44) NPC1RAB9ALMNAPOLB
SCHEMBL9467893 0.81 NPC1 (0.40) NPC1RAB9ALMNAPOLBPTPN1
SCHEMBL2380314 0.80 NPC1 (0.45) NPC1RAB9ALMNAPOLB
SCHEMBL699155 0.80 NPC1 (0.47) NPC1RAB9ALMNAPOLB
SCHEMBL14324434 0.79 MEN1 (0.40) NPC1RAB9APOLBNPY5R

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