SCHEMBL7907385

SCHEMBL7907385

CCCC1=CCC(C2CCC(CCC)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.41
CES2 O00748 1/20 0.32
CYP2C9 P11712 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 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
SCHEMBL7907380 1.00 TLR4 (0.41) TLR4CES2CYP2C9ALDH1A1LMNA
SCHEMBL8015863 0.89 CYP1A2 (0.33) TLR4CYP2C9MAPTMEN1KMT2A
SCHEMBL8736465 0.89 TLR4 (0.39) TLR4
SCHEMBL8736462 0.89 TLR4 (0.39) TLR4
SCHEMBL9352225 0.89 MAOA (0.36) TLR4CYP2C9MAPTMAPK1
SCHEMBL8217702 0.89 TLR4 (0.42) TLR4CES2CYP2C9ALDH1A1LMNA
SCHEMBL8037716 0.86 TLR4 (0.36) TLR4CYP2C9
SCHEMBL8049846 0.84 TLR4 (0.36) TLR4
SCHEMBL9351068 0.84 TLR4 (0.36) TLR4MAPTMAPK1
SCHEMBL9355160 0.83 MAOB (0.35) TLR4MAPTMAPK1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6210760-B1 SHORT SWITCHING TIMES AND GRADIENTS AND ANGULAR DEPENDENCIES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2001-04-03 US disclosed
EP-0394417-B2 SUPERTWIST LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 1999-08-04 EP disclosed
US-5876626-A HIGH SPEED SWITCHING MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-03-02 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-0394417-B1 SUPERTWIST LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 1994-10-26 EP disclosed
EP-0366985-B1 Super twist liquid crystal display MERCK PATENT GMBH (DE) 1994-04-06 EP disclosed
EP-0394417-A1 SUPERTWIST LIQUID CRYSTAL DISPLAY. MERCK PATENT GMBH (DE) 1990-10-31 EP disclosed
WO-1990004622-A1 SUPERTWIST LIQUID CRYSTAL DISPLAY MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-05-03 WO disclosed