SCHEMBL7791040

SCHEMBL7791040

CCCCCCCCC(F)COc1cnc(-c2ccc(OCc3ccccc3)cc2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 1/20 0.44
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 2/20 0.41
PLA2G10 O15496 1/20 0.41
PLA2G2A P14555 1/20 0.41
AR P10275 2/20 0.38
LPAR1 Q92633 2/20 0.38
LPAR3 Q9UBY5 2/20 0.38
MAPT P10636 2/20 0.38
RARB P10826 1/20 0.38
MAOB P27338 2/20 0.38
ALKBH1 Q13686 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL20437107 0.90 RAB9A (0.50) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL9617307 0.90 RAB9A (0.50) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL9551358 0.89 RAB9A (0.51) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL8773171 0.87 RARB (0.51) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL10338488 0.86 NPC1 (0.53) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL10575851 0.86 NPC1 (0.53) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL14802208 0.86 NPC1 (0.53) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL10615602 0.86 NPC1 (0.53) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL8023831 0.86 NPC1 (0.53) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E
SCHEMBL10615598 0.86 NPC1 (0.53) RAB9ANPC1SMN1; SMN2HSD17B10KDM4E

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-0821050-B1 Optically active compound and antiferroelectric liquid crystal composition containing the same SEMICONDUCTOR ENERGY LAB (JP) 2001-11-28 EP disclosed
US-5820782-A LOW THRESHOLD VOLTAGE AND LOW VISCOSITY; PYRIMIDINE-BASED COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 1998-10-13 US disclosed
EP-0821050-A1 Optically active compound and antiferroelectric liquid crystal composition containing the same Takasago International Corporation (JP) 1998-01-28 EP disclosed