SCHEMBL8045851

SCHEMBL8045851

CC(O)CCC/C=C/c1ccc2cc(-c3ccc(O)cc3)ncc2c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.40
RAB9A P51151 6/20 0.40
CASP3 P42574 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
MAPT P10636 2/20 0.32
STAT3 P40763 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTGES O14684 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
P2RY12 Q9H244 1/20 0.31
APP P05067 2/20 0.31
TP53 P04637 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
SCHEMBL8045855 1.00 NPC1 (0.40) NPC1RAB9ACASP3SENP7HDAC1
SCHEMBL8035031 0.94 NPC1 (0.40) NPC1RAB9ACASP3SENP7HDAC1
SCHEMBL8035032 0.94 NPC1 (0.40) NPC1RAB9ACASP3SENP7HDAC1
SCHEMBL8052700 0.88 NPC1 (0.34) NPC1RAB9ACASP3SENP7HDAC1
SCHEMBL8052697 0.88 NPC1 (0.34) NPC1RAB9ACASP3SENP7HDAC1
SCHEMBL8046637 0.87 NPC1 (0.36) NPC1RAB9ACASP3SENP7HDAC1
SCHEMBL8046641 0.87 NPC1 (0.36) NPC1RAB9ACASP3SENP7HDAC1
SCHEMBL8047652 0.86 NPC1 (0.40) NPC1RAB9ACASP3SENP7IDO1
SCHEMBL8047658 0.86 NPC1 (0.40) NPC1RAB9ACASP3SENP7IDO1
SCHEMBL8046951 0.85 SMN1; SMN2 (0.41) NPC1RAB9ACASP3SENP7HDAC1

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 4 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-6030546-A FERROELECTRIC PHASE; LOW VISCOSITY;, THERMOSENSITIVITY OVER A BROAD AND EXHIBITS A LARGE TILT ANGLE AND A HIGH-SPEED RESPONSE PROPERTY;CHEMICAL INTERMEDIATES FOR PESTICIDES, DRUGS AND LIQUID CRYSTALS; BORIDING AND HYDROLYSIS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-29 US 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