SCHEMBL8757828

SCHEMBL8757828

CCCCCCCCCCc1cnc(-c2ccc(COC(CCCCCC)C(F)(F)F)cc2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.50
MAPT P10636 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
RARB P10826 5/20 0.50
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
USP2 O75604 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
NPC1 O15118 4/20 0.43
STAT3 P40763 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39

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
SCHEMBL6251908 0.93 MAPT (0.51) RAB9AMAPTSMN1; SMN2RARBKDM4E
SCHEMBL6255691 0.93 MAPT (0.51) RAB9AMAPTSMN1; SMN2RARBKDM4E
SCHEMBL6256073 0.91 MAPT (0.51) RAB9AMAPTSMN1; SMN2RARBKDM4E
SCHEMBL9429367 0.85 RARB (0.51) RAB9AMAPTSMN1; SMN2RARBKDM4E
SCHEMBL6251962 0.85 RAB9A (0.45) RAB9AMAPTSMN1; SMN2RARBKDM4E
SCHEMBL30494129 0.84 BDKRB2 (0.41) MAPTRARBKDM4EALDH1A1HSD17B10
SCHEMBL8758438 0.83 RAB9A (0.58) RAB9AMAPTSMN1; SMN2RARBKDM4E
SCHEMBL8757872 0.83 RAB9A (0.51) RAB9AMAPTSMN1; SMN2RARBKDM4E
SCHEMBL6250654 0.81 MAPT (0.42) RAB9AMAPTSMN1; SMN2RARBKDM4E
SCHEMBL6253779 0.81 S1PR1 (0.39) RAB9AMAPTSMN1; SMN2RARBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4117343-A None JP disclosed
US-5686020-A HIGH SPEED RESPONSE CANON KABUSHIKI KAISHA (JP) 1997-11-11 US disclosed
EP-0474196-B1 Mesomorphic compound, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KK (JP) 1997-05-28 EP disclosed
JP-H04117343-A LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME AND LIQUID CRYSTAL ELEMENT UTILIZING THE COMPOSITION CANON INC 1992-04-17 JP disclosed
EP-0474196-A1 Mesomorphic compound, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KABUSHIKI KAISHA (JP) 1992-03-11 EP disclosed