SCHEMBL7908845

SCHEMBL7908845

CCC[C@H]1CC[C@H](c2ccc(C#Cc3ccc(OCC)c(F)c3F)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.41
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM1A O60341 2/20 0.33
ACACB O00763 2/20 0.32
ESR2 Q92731 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
SCHEMBL21165797 1.00 CYP2C9 (0.41) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9508834 0.93 CYP2C9 (0.39) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9510166 0.93 CYP2C9 (0.34) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7910615 0.92 CYP2C9 (0.34) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9511343 0.92 CYP2C9 (0.39) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9509441 0.91 SPHK1 (0.34) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9509049 0.91 SPHK1 (0.34) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9510173 0.91 CYP2C9 (0.38) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9509449 0.91 CYP2C9 (0.41) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9509015 0.91 ACACB (0.38) KDM1AACACB

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 21 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-6210760-B1 SHORT SWITCHING TIMES AND GRADIENTS AND ANGULAR DEPENDENCIES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2001-04-03 US disclosed
EP-0438547-B2 SUPER-TWIST LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 1999-07-07 EP disclosed
US-5876626-A HIGH SPEED SWITCHING MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-03-02 US disclosed
US-5516454-A Supertwist liquid crystal display MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-05-14 US disclosed
US-5387369-A With specified mixture of components; short switching times MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-07 US disclosed
EP-0438547-B1 SUPER-TWIST LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 1994-12-14 EP disclosed
EP-0394417-B1 SUPERTWIST LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 1994-10-26 EP disclosed
EP-0308438-B1 LIQUID CRYSTAL PHASE CONTAINING TOLANES MERCK PATENT GmbH (DE) 1993-09-29 EP disclosed
US-5178790-A With excellent steepness of characteristics MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1993-01-12 US disclosed
EP-0438547-A1 SUPER-TWIST LIQUID CRYSTAL DISPLAY. MERCK PATENT GMBH (DE) 1991-07-31 EP disclosed
WO-1991000898-A1 SUPER-TWIST LIQUID CRYSTAL DISPLAY MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-01-24 WO disclosed
EP-0394417-A1 SUPERTWIST LIQUID CRYSTAL DISPLAY. MERCK PATENT GMBH (DE) 1990-10-31 EP disclosed
EP-0366985-A1 Super twist liquid crystal display MERCK PATENT GmbH (DE) 1990-05-09 EP disclosed
WO-1990004622-A1 SUPERTWIST LIQUID CRYSTAL DISPLAY MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-05-03 WO 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
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