SCHEMBL7032191

SCHEMBL7032191

CCCC1CCC(C2CCC(c3ccc(C#N)c(F)c3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.42
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
TRPV4 Q9HBA0 2/20 0.36
AR P10275 2/20 0.35
KDM1A O60341 4/20 0.35
CHEK1 O14757 2/20 0.35
FASN P49327 1/20 0.34
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
ESR2 Q92731 1/20 0.33
EGLN2 Q96KS0 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
SCHEMBL8050610 1.00 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8050614 1.00 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9502496 1.00 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7032187 1.00 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7509289 0.96 CYP2C9 (0.45) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7737297 0.96 CYP2C9 (0.45) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9828820 0.95 CYP2C9 (0.44) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7900614 0.95 CYP2C9 (0.44) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7900616 0.95 CYP2C9 (0.44) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL14525707 0.93 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59152362-A None JP disclosed
EP-0754668-B1 Fluorobenzylether derivatives ROLIC AG (CH) 2003-02-05 EP disclosed
EP-0742275-B1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME CHISSO CORP (JP) 2002-03-20 EP disclosed
EP-0640578-B2 Novel liquid crystalline compound having a 1,1,2,3,3,3,-hexafluoropropyl group and liquid crystal composition CHISSO CORP (JP) 2001-06-27 EP disclosed
US-6143198-A SUITABLE FOR USE AS ELECTRO-OPTICAL DISPLAY MATERIALS; LIQUID CRYSTALLINE COMPOUND HAVING A LARGE ELASTIC CONSTANT RATIO, EXCELLENT COMPATIBILITY WITH OTHER LIQUID CRYSTALLINE COMPOUND, AND LOW TEMPERATURE CHEMICAL STABILITY CHISSO CORPORATION (JP) 2000-11-07 US disclosed
EP-0805134-B1 NOVEL LIQUID-CRYSTAL COMPOUNDS BEARING DIENYL MOIETY AND LIQUID-CRYSTAL COMPOSITION CHISSO CORP (JP) 2000-08-30 EP disclosed
US-6086964-A Liquid crystalline compound having dienyl moiety and liquid crystal composition CHISSO CORPORATION (JP) 2000-07-11 US disclosed
EP-0733692-B1 Liquid crystalline compound, liquid crystal composition containing the same, and display device CHISSO CORP (JP) 2000-06-14 EP disclosed
EP-0700982-B1 A liquid crystal composition and a liquid crystal display element using the same CHISSO CORP (JP) 2000-04-26 EP disclosed
US-6001275-A LIQUID CRYSTALLINE COMPOUND WHICH HAS A LARGE RATIO OF ELASTIC CONSTANTS, HAS A LOW VISCOSITY, EXCELLENT MISCIBILITY WITH OTHER LIQUID CRYSTALLINE COMPOUND, CHEMICALLY STABLE; HAVING AN UNCONJUGATED ALKADIENYL GROUP AT A SIDE CHAIN. CHISSO CORPORATION (JP) 1999-12-14 US disclosed
EP-0393442-A2 Liquid crystal supertwist display unit MERCK PATENT GmbH (DE) 1990-10-24 EP disclosed
US-4877547-A Liquid crystal display element MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-10-31 US disclosed
EP-0318003-A2 A liquid crystal composition for twist nematic mode CHISSO CORPORATION (JP) 1989-05-31 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
EP-0119756-A1 Fluorobenzene derivatives and liquid crystal compositions containing the same Chisso Corporation (JP) 1984-09-26 EP disclosed
JP-S59152362-A LIQUID CRYSTAL SUBSTANCE HAVING LOW VISCOSITY CHISSO CORP 1984-08-31 JP disclosed