SCHEMBL8048978

SCHEMBL8048978

C=CCOc1ccc2cc(-c3ccc(/C=C/CCCC(C)OCCCCC)cc3)ncc2c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SRC P12931 4/20 0.35
ABL1 P00519 2/20 0.35
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CASR P41180 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL8048991 1.00 NPC1 (0.36) NPC1RAB9ACASP3SENP7SRC
SCHEMBL8046732 0.96 RAB9A (0.36) NPC1RAB9ACASP3SENP7SRC
SCHEMBL8046737 0.96 RAB9A (0.36) NPC1RAB9ACASP3SENP7SRC
SCHEMBL8036672 0.90 SRC (0.37) RAB9ACASP3SENP7SRCABL1
SCHEMBL8036665 0.90 SRC (0.37) RAB9ACASP3SENP7SRCABL1
SCHEMBL8046256 0.90 KDM4E (0.37) NPC1RAB9ACASP3SENP7KDM4E
SCHEMBL8046254 0.90 KDM4E (0.37) NPC1RAB9ACASP3SENP7KDM4E
SCHEMBL8047954 0.89 KDM4E (0.39) NPC1RAB9ACASP3SENP7KDM4E
SCHEMBL8047958 0.89 KDM4E (0.39) NPC1RAB9ACASP3SENP7KDM4E
SCHEMBL8037755 0.89 SRC (0.38) SRCABL1CASRCA12CA1

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