SCHEMBL8094842

SCHEMBL8094842

CCCCC[C@H]1CC[C@H](c2cc(F)c(-c3ccc(F)c(F)c3)c(F)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.40
MAPT P10636 3/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
PDE5A O76074 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SPHK1 Q9NYA1 2/20 0.32
ADRA1A P35348 1/20 0.31
TP53 P04637 1/20 0.31
CCR2 P41597 1/20 0.31

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
SCHEMBL7923496 1.00 GCGR (0.40) GCGRMAPTGAAMEN1KMT2A
SCHEMBL8042885 1.00 GCGR (0.40) GCGRMAPTGAAMEN1KMT2A
SCHEMBL7923492 1.00 GCGR (0.40) GCGRMAPTGAAMEN1KMT2A
SCHEMBL7923494 1.00 GCGR (0.40) GCGRMAPTGAAMEN1KMT2A
SCHEMBL16258075 0.96 GCGR (0.38) GCGRMAPTGAAMEN1KMT2A
SCHEMBL8540752 0.96 GCGR (0.38) GCGRMAPTGAAMEN1KMT2A
SCHEMBL8540750 0.96 GCGR (0.38) GCGRMAPTGAAMEN1KMT2A
SCHEMBL16104443 0.93 GCGR (0.36) GCGRMAPTGAAMEN1KMT2A
SCHEMBL7936155 0.91 CYP2C9 (0.42) GCGRMAPTMEN1KMT2ACYP2C9
SCHEMBL7936157 0.91 CYP2C9 (0.42) GCGRMAPTMEN1KMT2ACYP2C9

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-6166798-A TN cell having improved display of grey shades MERCK KGAA (DE) 2000-12-26 US disclosed
EP-0770117-B1 NEMATIC LIQUID-CRYSTAL COMPOSITION FOR ACTIVE MATRIX APPLICATION MERCK PATENT GMBH (DE) 1999-12-22 EP disclosed
EP-0592635-B1 TN CELL WITH IMPROVED GREY-SHADE REPRESENTATION MERCK PATENT GMBH (DE) 1998-10-14 EP disclosed
US-5762826-A Liquid crystal composition and a liquid crystal display element which contains it SHIN-ETSU CHEMICAL CO., LTD. (JP) 1998-06-09 US disclosed
US-5753142-A Nematic liquid-crystal composition for active matrix application MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-05-19 US disclosed
US-5696570-A TN cell having improved display of grey shades MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-12-09 US disclosed
EP-0718387-A1 A liquid crystal composition and a liquid crystal display element which contains it SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-06-26 EP disclosed
US-5431850-A Nematic liquid-crystal composition for active matrix application MERCK PATENT GENSELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-07-11 US disclosed