SCHEMBL2905643

SCHEMBL2905643

CCC[C@H]1CC[C@H](C2CCC(c3ccc(F)c(F)c3F)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 16/20 0.39
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
TLR4 O00206 1/20 0.34

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
SCHEMBL14494545 1.00 OPRL1 (0.39) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL2905645 1.00 OPRL1 (0.39) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL2905649 1.00 OPRL1 (0.39) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL9406145 0.95 CYP2C9 (0.41) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL9406149 0.95 CYP2C9 (0.41) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL12994006 0.94 CYP2C9 (0.42) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL9249377 0.91 OPRL1 (0.37) OPRL1CYP2C9MAPTMEN1MAPK1
SCHEMBL9249367 0.91 OPRL1 (0.37) OPRL1CYP2C9MAPTMEN1MAPK1
SCHEMBL9249400 0.90 GAA (0.37) OPRL1MAPTMEN1KMT2A
SCHEMBL9249405 0.90 GAA (0.37) OPRL1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1640433-B1 CHROMAN DERIVATIVE AND LIQUID-CRYSTAL COMPOSITION CONTAINING THE COMPOUND DAINIPPON INK & CHEMICALS (JP) 2010-08-25 EP disclosed
US-7226644-B2 Chroman derivative and liquid-crystal composition containing the compound DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-06-05 US disclosed
US-20060163536-A1 Chroman dervative and liquid-crystal composition containing the compound DAINIPPON INK AND CHEMICALS, INC. (JP) 2006-07-27 US disclosed
US-7045176-B2 Liquid crystal composition having high-speed response property and liquid crystal display using the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2006-05-16 US disclosed
EP-1640433-A1 CHROMAN DERIVATIVE AND LIQUID-CRYSTAL COMPOSITION CONTAINING THE COMPOUND Dainippon Ink and Chemicals, Incorporated (JP) 2006-03-29 EP disclosed
US-20040119051-A1 Liquid crystal composition having high-speed response property and liquid crystal display using the same SAMSUNG ELECTRONICS CO., LTD. 2004-06-24 US disclosed
WO-1995010496-A1 2,3,4-TRIFLUOROBENZENES AND THEIR USE IN LIQUID CRYSTAL MIXTURES MERCK PATENT GMBH (DE) 1995-04-20 WO disclosed