SCHEMBL8045663

SCHEMBL8045663

CC(O)CCCC=Cc1ccc(-c2ncc(-c3ccc(O)cc3)cn2)nc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.33
STAT3 P40763 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL8045659 1.00 NPC1 (0.39) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL8035403 0.94 NPC1 (0.35) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL8035407 0.94 NPC1 (0.35) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL8052766 0.91 NPC1 (0.40) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL8052769 0.91 NPC1 (0.40) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL8046131 0.90 RAB9A (0.49) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL8049281 0.90 RAB9A (0.49) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL8046129 0.90 RAB9A (0.49) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL8049285 0.90 RAB9A (0.49) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL8046951 0.89 SMN1; SMN2 (0.41) NPC1RAB9AMAPTSTAT3ATM

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
EP-0643119-B1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL CO (JP) 2000-04-26 EP disclosed
US-5707547-A CONTAINING FLUORINATED BENZENE OR NAPHTHALENE RINGS AND/OR NITROGEN CONTAINING HETEROCYCLES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-01-13 US disclosed
EP-0643119-A1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-03-15 EP disclosed