SCHEMBL5361264

SCHEMBL5361264

CCC[C@H]1CC[C@H](c2ccc(C#Cc3ccc(OCC)cc3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.49
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
ACACB O00763 9/20 0.45
NQO1 P15559 1/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
NLRP3 Q96P20 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ESR2 Q92731 1/20 0.39

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
SCHEMBL17465557 1.00 CYP2C9 (0.49) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9509336 0.96 CYP2C9 (0.46) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL4800850 0.93 CYP2C9 (0.55) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL1894069 0.93 CYP2C9 (0.55) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9512273 0.92 ACACB (0.44) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL26347314 0.92 ACACB (0.44) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9743111 0.91 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9743118 0.91 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9510162 0.91 ACACB (0.43) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9509933 0.90 RAB9A (0.48) 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 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0308438-B1 LIQUID CRYSTAL PHASE CONTAINING TOLANES MERCK PATENT GmbH (DE) 1993-09-29 EP claimed
US-7186447-B2 Two plane parallel support plates with frame form cell, with integrated non-linear elements for switching individual picture elements on support plates, and nematic liquid crystal mixture is present in cell, having positive dielectric anisotropy and high resistivity MERCK PATENT GMBH (DE) 2007-03-06 US disclosed
US-6905740-B2 The invention relates to a matrix liquid crystal display containing integrated non-linear elements and a liquid crystal mixture which has a particularly high resistivity. MERCK PATENT GMBH (DE) 2005-06-14 US disclosed
US-20030207046-A1 Matrix liquid crystal display MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2003-11-06 US disclosed
US-6562419-B1 Matrix liquid crystal display MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2003-05-13 US disclosed
US-6210760-B1 SHORT SWITCHING TIMES AND GRADIENTS AND ANGULAR DEPENDENCIES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2001-04-03 US disclosed
EP-0513262-B1 3,6-DISUBSTITUTED 2-FLUOROPYRIDINES MERCK PATENT GMBH (DE) 2000-04-05 EP disclosed
US-6004479-A FLUOROETHERS FOR LIQUID CRYSTAL DISPLAYS AND DIELECTRICS MERCK KGAA (DE) 1999-12-21 US disclosed
EP-0363451-B2 SUPERTWIST LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 1999-12-15 EP disclosed
EP-0394419-B2 MATRIX LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 1999-10-06 EP disclosed
WO-1990004622-A1 SUPERTWIST LIQUID CRYSTAL DISPLAY MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-05-03 WO disclosed
EP-0365962-A1 Matrix-type liquid-crystal display MERCK PATENT GmbH (DE) 1990-05-02 EP disclosed
EP-0363451-A1 SUPERTWIST LIQUID CRYSTAL DISPLAY. MERCK PATENT GMBH (DE) 1990-04-18 EP disclosed
EP-0360851-A1 SUPERTWIST LIQUID CRYSTAL DISPLAY MERCK PATENT GmbH (DE) 1990-04-04 EP disclosed
WO-1989008691-A1 SUPERTWIST LIQUID CRYSTAL DISPLAY MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-09-21 WO disclosed
WO-1989008692-A1 SUPERTWIST LIQUID CRYSTAL DISPLAY MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-09-21 WO disclosed
EP-0332005-A1 Supertwist liquid-crystal display MERCK PATENT GmbH (DE) 1989-09-13 EP disclosed
EP-0308438-A1 Liquid crystal phase containing tolanes. MERCK PATENT GMBH (DE) 1989-03-29 EP disclosed
WO-1988007514-A1 TOLANES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1988-10-06 WO disclosed
EP-0281611-A1 LIQUID CRYSTAL PHASES FOR ELECTRO-OPTIC DISPLAY ELEMENTS BASED ON THE ECB EFFECT. MERCK PATENT GMBH (DE) 1988-09-14 EP disclosed