SCHEMBL6159141

SCHEMBL6159141

CCCc1ccc2c(c1)CCC(c1ccc(OC(F)(F)F)cc1)C2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.44
DRD3 P35462 8/20 0.44
L3MBTL1 Q9Y468 1/20 0.38
KDM1A O60341 1/20 0.38
RCOR1 Q9UKL0 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
S1PR3 Q99500 4/20 0.37
HCRTR1 O43613 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
S1PR1 P21453 4/20 0.36
S1PR4 O95977 1/20 0.36
S1PR5 Q9H228 1/20 0.36

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
SCHEMBL6157715 0.78 DRD3 (0.44) DRD2DRD3S1PR3CYP3A4CYP2C8
SCHEMBL6156737 0.78 HTR1D (0.51) DRD2DRD3
SCHEMBL6160441 0.77 DRD3 (0.43) DRD2DRD3S1PR3CYP3A4CYP2C8
SCHEMBL5685879 0.74 L3MBTL1 (0.38) DRD2L3MBTL1KDM1ARCOR1ALDH1A1
SCHEMBL7663418 0.72 GRIN2B (0.43) ALDH1A1TSHRS1PR1
SCHEMBL1687455 0.72 TSHR (0.53) L3MBTL1ALDH1A1TSHR
SCHEMBL5884877 0.71 L3MBTL1 (0.36) DRD2L3MBTL1KDM1ARCOR1ALDH1A1
SCHEMBL5684726 0.71 L3MBTL1 (0.36) DRD2L3MBTL1KDM1ARCOR1ALDH1A1
SCHEMBL5884882 0.71 L3MBTL1 (0.36) DRD2L3MBTL1KDM1ARCOR1ALDH1A1
SCHEMBL5684728 0.71 L3MBTL1 (0.36) DRD2L3MBTL1KDM1ARCOR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1191008-B1 COMPOUND HAVING TETRAHYDRONAPHTHALENE SKELETON AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME DAINIPPON INK & CHEMICALS (JP) 2005-02-09 EP disclosed
US-6746728-B1 SUPERIOR LIQUID CRYSTALLINITY AND CO-SOLUBILITY WITH CURRENTLY USED LIQUID CRYSTAL COMPOUNDS; TEMPERATURE RANGE OVER WHICH LIQUID CRYSTALLINITY IS SHOWN IS BROAD; THRESHOLD VOLTAGE IS LOW; CAPABLE OF HIGH SPEED RESPONSE DAINIPPON INK AND CHEMICALS, INC. (JP) 2004-06-08 US disclosed
EP-1191008-A1 COMPOUND HAVING TETRAHYDRONAPHTHALENE SKELETON AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-03-27 EP disclosed