SCHEMBL8769198

SCHEMBL8769198

CCCCCCCCc1ccc(-c2ncc(-c3ccc(OCCCCCC)cc3)s2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.51
ALDH1A1 P00352 5/20 0.51
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 1/20 0.51
LMNA P02545 2/20 0.50
CYP3A4 P08684 2/20 0.50
MEN1 O00255 2/20 0.50
USP2 O75604 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 1/20 0.50
CASP1 P29466 1/20 0.50
SLCO1B3 Q9NPD5 1/20 0.50
SLCO1B1 Q9Y6L6 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
CYP2D6 P10635 2/20 0.47
CYP1A2 P05177 1/20 0.47
PLA2G4A P47712 2/20 0.46
S1PR4 O95977 3/20 0.46
S1PR1 P21453 3/20 0.46

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
SCHEMBL8884758 1.00 RAB9A (0.51) RAB9AALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL8547071 0.95 LTA4H (0.48) RAB9AALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL8984250 0.92 RAB9A (0.49) RAB9AALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL8885096 0.91 RAB9A (0.43) RAB9AALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL8885499 0.91 RAB9A (0.43) RAB9AALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL7933637 0.91 RAB9A (0.54) RAB9AALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL8883086 0.91 RAB9A (0.54) RAB9AALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL8769319 0.90 CASP3 (0.59) RAB9AALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL8768346 0.90 CASP3 (0.59) RAB9AALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL18644061 0.88 RAB9A (0.52) RAB9AALDH1A1MAPTSMN1; SMN2NPC1

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-3220183-A None JP disclosed
EP-0460624-B1 Liquid crystal composition, liquid crystal device, display apparatus and display method CANON KK (JP) 1997-09-10 EP disclosed
US-5269964-A Liquid crystal composition, liquid crystal device, display apparatus and display method CANON KABUSHIKI KAISHA (JP) 1993-12-14 US disclosed
EP-0460624-A2 Liquid crystal composition, liquid crystal device, display apparatus and display method CANON KABUSHIKI KAISHA (JP) 1991-12-11 EP disclosed
JP-H03220183-A LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME AND LIQUID CRYSTAL ELEMENT PRODUCED BY USING THE SAME CANON INC 1991-09-27 JP disclosed