SCHEMBL3159449

SCHEMBL3159449

CCCc1ccc2c(F)[c]ccc2c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 2/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
LPL P06858 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
PDK2 Q15119 1/20 0.31
ALOX5 P09917 1/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL7661607 0.74 SLC6A2 (0.43) NCEH1CNR1CNR2
SCHEMBL1392528 0.71
SCHEMBL921205 0.71 CNR1 (0.39) CNR1CNR2LPLLIPGPDK2
SCHEMBL3172565 0.70 CNR1 (0.53) NCEH1CNR1CNR2ALOX5HSD17B10
SCHEMBL9939494 0.69 CYP1A2 (0.42) HSD17B10
SCHEMBL14193997 0.69 CNR1 (0.40) NCEH1CNR1CNR2LPLLIPG
SCHEMBL5687005 0.69 NPC1 (0.41) NCEH1CNR1CNR2ALOX5NPC1
SCHEMBL7193556 0.69 CNR1 (0.54) NCEH1CNR1CNR2LPLLIPG
SCHEMBL31593166 0.69 CNR1 (0.54) NCEH1CNR1CNR2LPLLIPG
SCHEMBL599171 0.68 ALDH1A1 (0.50) NCEH1HSD17B10

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-1452514-B1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK & CHEMICALS (JP) 2010-03-31 EP disclosed
EP-1273562-B1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK & CHEMICALS (JP) 2009-07-22 EP disclosed
EP-0952135-A1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-10-27 EP disclosed