SCHEMBL7524142

SCHEMBL7524142

CCCCCCCCCCc1nnc(-c2ccc(O)cc2)o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
SPHK1 Q9NYA1 3/20 0.49
ESR1 P03372 3/20 0.49
ADRA2A P08913 2/20 0.49
ADORA3 P0DMS8 2/20 0.49
TACR2 P21452 2/20 0.49
SLC6A2 P23975 2/20 0.49
SLC6A4 P31645 2/20 0.49
SLC6A3 Q01959 2/20 0.49
PTGS2 P35354 2/20 0.49
EGFR P00533 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
SHBG P04278 1/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
HSPD1 P10809 1/20 0.49
ADRB3 P13945 1/20 0.49
HTR2C P28335 1/20 0.49

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
SCHEMBL7520338 1.00 MAPT (0.52) MAPTSPHK1ESR1ADRA2AADORA3
SCHEMBL1313658 0.85 SPHK1 (0.53) MAPTSPHK1KDM4EALDH1A1LMNA
SCHEMBL6743731 0.84 ALDH1A1 (0.56) MAPTESR1KDM4EALDH1A1LMNA
SCHEMBL12419540 0.84 LPL (0.53) MAPTSPHK1KDM4EALDH1A1LMNA
SCHEMBL17242460 0.83 NPC1 (0.56) MAPTSPHK1PTGS2KDM4EALDH1A1
SCHEMBL7333177 0.83 RARB (0.57) MAPTSPHK1ALDH1A1NPC1RAB9A
SCHEMBL1313385 0.82 SPHK1 (0.50) MAPTSPHK1KDM4EALDH1A1HSD17B10
SCHEMBL3265620 0.82 MAPT (0.78) MAPTKDM4EALDH1A1LMNATP53
SCHEMBL12419524 0.82 LPL (0.51) MAPTSPHK1KDM4EALDH1A1LMNA
SCHEMBL5638802 0.82 CES1 (0.54) EGFRALDH1A1LMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2275868-A None JP disclosed
EP-0335348-B2 Mesomorphic compound, ferroelectric liquid crystal composition containing same and ferroelectric liquid crystal device CANON KK (JP) 2002-02-27 EP disclosed
EP-0335348-B1 Mesomorphic compound, ferroelectric liquid crystal composition containing same and ferroelectric liquid crystal device CANON KK (JP) 1996-03-20 EP disclosed
US-5034151-A Laminate with 1,3,4-oxadiazole compoumd as liquid crystal CANON KABUSHIKI KAISHA (JP) 1991-07-23 US disclosed
JP-H02275868-A LIQUID CRYSTAL-LIKE COMPOUND, FERROELECTRIC LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME COMPOUND AND FERROELECTRIC LIQUID CRYSTAL ELEMENT CANON INC 1990-11-09 JP disclosed
EP-0335348-A2 Mesomorphic compound, ferroelectric liquid crystal composition containing same and ferroelectric liquid crystal device CANON KABUSHIKI KAISHA (JP) 1989-10-04 EP disclosed