SCHEMBL9501512

SCHEMBL9501512

CCCC1CCC(C2CCC(C)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.38
CYP1A2 P05177 1/20 0.36
LMNA P02545 2/20 0.34
MAPK1 P28482 2/20 0.34
HTT P42858 1/20 0.34
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
FYN P06241 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
SCHEMBL8679223 1.00 TLR4 (0.38) TLR4CYP1A2LMNAMAPK1HTT
SCHEMBL11035007 1.00 TLR4 (0.38) TLR4CYP1A2LMNAMAPK1HTT
SCHEMBL8215590 1.00 TLR4 (0.38) TLR4CYP1A2LMNAMAPK1HTT
SCHEMBL4802597 1.00 TLR4 (0.38) TLR4CYP1A2LMNAMAPK1HTT
SCHEMBL11012872 0.93 TLR4 (0.36) TLR4CYP1A2LMNAMAPK1HTT
SCHEMBL6130370 0.92 CYP1A2 (0.40) TLR4CYP1A2LMNAMAPK1HTT
SCHEMBL10341950 0.92 CYP1A2 (0.40) TLR4CYP1A2LMNAMAPK1HTT
SCHEMBL598587 0.92 CYP1A2 (0.40) TLR4CYP1A2LMNAMAPK1HTT
SCHEMBL5836344 0.89 TLR4 (0.42) TLR4CYP1A2LMNAMAPK1HTT
SCHEMBL5836340 0.89 TLR4 (0.42) TLR4CYP1A2LMNAMAPK1HTT

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
EP-2808375-B1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT PRODUCED USING SAME DAINIPPON INK & CHEMICALS (JP) 2020-01-22 EP disclosed
EP-3239273-B1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME DAINIPPON INK & CHEMICALS (JP) 2019-11-13 EP disclosed
EP-3260451-A1 LIQUID CRYSTALLINE COMPOUND HAVING BENZOTHIOPHENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2017-12-27 EP disclosed
EP-3199561-A1 POLYMERIZABLE COMPOSITION COMPRISING POLYMERIZABLE COMPOUNDS, FILM, AND HALF MIRROR FOR PROJECTED-IMAGE DISPLAY Fujifilm Corporation (JP) 2017-08-02 EP disclosed
EP-0338059-B1 IMPROVED LIQUID CRYSTAL MIXTURE CASIO COMPUTER COMPANY LIMITED (JP) 1993-04-21 EP disclosed
US-4868341-A LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-09-19 US disclosed
WO-1989003867-A1 IMPROVED LIQUID CRYSTAL MIXTURE CASIO COMPUTER COMPANY LIMITED (JP) 1989-05-05 WO disclosed
US-4622164-A LIQUID CRYSTAL DIELECTRICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-11-11 US disclosed