SCHEMBL8050775

SCHEMBL8050775

CCCCCOC(C)CCCC=Cc1ccc(-c2cnc(-c3ccc(O)c(F)c3F)nc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.31
MAOB P27338 1/20 0.30
TNNC1 P63316 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
LTB4R Q15722 1/20 0.30
LTB4R2 Q9NPC1 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
SCHEMBL8050771 1.00 ABCG2 (0.31) ABCG2MAOBTNNC1TRPV1LTB4R
SCHEMBL8046523 0.93 NPC1 (0.32) ABCG2MAOBTNNC1TRPV1LTB4R
SCHEMBL8046527 0.93 NPC1 (0.32) ABCG2MAOBTNNC1TRPV1LTB4R
SCHEMBL8051517 0.93 CNR2 (0.31)
SCHEMBL8051511 0.93 CNR2 (0.31)
SCHEMBL8050862 0.91 KDM4E (0.32) TNNC1
SCHEMBL8050865 0.91 KDM4E (0.32) TNNC1
SCHEMBL8045988 0.90 TNNC1 (0.35) ABCG2MAOBTNNC1
SCHEMBL8045986 0.90 TNNC1 (0.35) ABCG2MAOBTNNC1
SCHEMBL8048930 0.90 KDM4E (0.36) TNNC1

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