SCHEMBL8048182

SCHEMBL8048182

C=CCc1ccc(-c2cc3ccc(C=CCCCC(C)O)cc3cn2)cc1F

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL8048180 1.00 NPC1 (0.31) NPC1CASP3RAB9ASENP7ESR1
SCHEMBL8051458 0.89 NPC1 (0.31) NPC1RAB9A
SCHEMBL8051453 0.89 NPC1 (0.31) NPC1RAB9A
SCHEMBL8046451 0.89 HDAC1 (0.32) ESR1ESR2
SCHEMBL8046459 0.89 HDAC1 (0.32) ESR1ESR2
SCHEMBL8052697 0.87 NPC1 (0.34) NPC1CASP3RAB9ASENP7ESR1
SCHEMBL8052700 0.87 NPC1 (0.34) NPC1CASP3RAB9ASENP7ESR1
SCHEMBL8036743 0.86 MAPT (0.34) ESR1ESR2
SCHEMBL8036737 0.86 MAPT (0.34) ESR1ESR2
SCHEMBL8046118 0.86

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