SCHEMBL8048353

SCHEMBL8048353

C=CCc1ccc2cc(-c3ccc(/C=C/CCCC(C)O)cc3F)ncc2c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
ALOX5AP P20292 4/20 0.30
FEN1 P39748 4/20 0.30
CASP3 P42574 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 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
SCHEMBL8048357 1.00 NPC1 (0.36) NPC1RAB9AL3MBTL1ALOX5APFEN1
SCHEMBL8052109 0.96 NPC1 (0.34) NPC1RAB9AL3MBTL1
SCHEMBL8052107 0.96 NPC1 (0.34) NPC1RAB9AL3MBTL1
SCHEMBL8051049 0.88 CYP11B1 (0.35) NPC1RAB9AALOX5APFEN1
SCHEMBL8051045 0.88 CYP11B1 (0.35) NPC1RAB9AALOX5APFEN1
SCHEMBL8037136 0.88 NPC1 (0.41) NPC1RAB9AL3MBTL1ALOX5APFEN1
SCHEMBL8037142 0.88 NPC1 (0.41) NPC1RAB9AL3MBTL1ALOX5APFEN1
SCHEMBL8036724 0.87
SCHEMBL8036729 0.87
SCHEMBL8054086 0.87 CYP11B1 (0.31) NPC1RAB9A

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