SCHEMBL5886450

SCHEMBL5886450

CCCCCCC[C@H]1CC[C@H](c2ccc(C#N)c(F)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
SPHK1 Q9NYA1 3/20 0.36
GRM2 Q14416 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C8 P10632 1/20 0.35
S1PR3 Q99500 1/20 0.35
TRPV4 Q9HBA0 1/20 0.35
KDM1A O60341 4/20 0.35
AR P10275 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
CHEK1 O14757 1/20 0.34

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
SCHEMBL17190567 1.00 MAPT (0.37) MAPTGAASPHK1GRM2CYP2C9
SCHEMBL5886452 1.00 MAPT (0.37) MAPTGAASPHK1GRM2CYP2C9
SCHEMBL8077024 0.99 CYP2C9 (0.36) MAPTGAASPHK1GRM2CYP2C9
SCHEMBL9344768 0.99 CYP2C9 (0.36) MAPTGAASPHK1GRM2CYP2C9
SCHEMBL10484059 0.96 MAPT (0.35) MAPTGAASPHK1GRM2CYP2C9
SCHEMBL10350025 0.96 MAPT (0.35) MAPTGAASPHK1GRM2CYP2C9
SCHEMBL10484068 0.96 MAPT (0.35) MAPTGAASPHK1GRM2CYP2C9
SCHEMBL10350024 0.96 MAPT (0.35) MAPTGAASPHK1GRM2CYP2C9
SCHEMBL8745378 0.95 CYP2C9 (0.34) MAPTGAASPHK1GRM2CYP2C9
SCHEMBL9349786 0.95 CYP2C9 (0.37) MAPTCYP2C9TRPV4KDM1AAR

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0673986-B1 Active matrix type liquid crystal display apparatus HITACHI LTD (JP) 2003-06-04 EP claimed
EP-1070753-A2 Liquid crystal compounds and their use in active matrix type liquid crystal display devices HITACHI, LTD. (JP) 2001-01-24 EP claimed
EP-0673986-A2 Active matrix type liquid crystal display apparatus HITACHI, LTD. (JP) 1995-09-27 EP claimed
EP-0039294-B1 BIS-(SUBSTITUTED PHENOXYACETATES) OF N-ALKYL-DIALKANOL AMINES, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ANVAR Agence Nationale de Valorisation de la Recherche (FR) 1984-02-29 EP claimed
JP-59176240-A None JP disclosed
US-7112355-B2 Active matrix type liquid crystal display apparatus HITACHI LTD. (JP) 2006-09-26 US disclosed
US-20050084623-A1 Active matrix type liquid crystal display apparatus IPS ALPHA SUPPORT CO., LTD. (JP) 2005-04-21 US disclosed
US-6849309-B2 Active matrix type liquid crystal display apparatus HITACHI, LTD. (JP) 2005-02-01 US disclosed
US-6830787-B1 Active matrix liquid crystal display apparatus HITACHI, LTD. (JP) 2004-12-14 US disclosed
US-6649226-B2 Mixture containing dissociating materials; controlling static electricity NEC LCD TECHNOLOGIES, LTD. (JP) 2003-11-18 US disclosed
US-20030201422-A1 Active matrix type liquid crystal display apparatus HITACHI DISPLAYS, LTD. (JP) 2003-10-30 US disclosed
EP-0673986-B1 Active matrix type liquid crystal display apparatus HITACHI LTD (JP) 2003-06-04 EP disclosed
EP-0338054-A1 CROSS COUPLING OF TITANIUM ORGANYLS MERCK PATENT GmbH (DE) 1989-10-25 EP disclosed
WO-1989003812-A1 CROSS COUPLING OF TITANIUM ORGANYLS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-05-05 WO disclosed
EP-0282542-A1 PROCESS FOR THE PRODUCTION OF ALKYLENE OR CYCLICALLY LINKED COMPOUNDS. MERCK PATENT GMBH (DE) 1988-09-21 EP disclosed
WO-1988002357-A2 PROCESS FOR THE PRODUCTION OF ALKYLENE OR CYCLICALLY LINKED COMPOUNDS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1988-04-07 WO disclosed
EP-0119756-B1 FLUOROBENZENE DERIVATIVES AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THE SAME Chisso Corporation (JP) 1987-01-28 EP disclosed
US-4536321-A Fluorobenzene derivatives and liquid crystal compositions containing the same CHISSO CORPORATION (JP) 1985-08-20 US disclosed
JP-S59176240-A LIQUID CRYSTAL SUBSTANCE HAVING LOW VISCOSITY AND LARGE POSITIVE DIELECTRIC ANISOTROPY CHISSO CORP 1984-10-05 JP disclosed
EP-0119756-A1 Fluorobenzene derivatives and liquid crystal compositions containing the same Chisso Corporation (JP) 1984-09-26 EP disclosed