SCHEMBL8769317

SCHEMBL8769317

CCCCC(=O)Oc1ccc(-c2cnc(-c3ccc(CCCC)cc3)s2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.44
THRA P10827 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.41
MMP2 P08253 3/20 0.41
MMP9 P14780 3/20 0.41
HPGD P15428 1/20 0.40
DGAT1 O75907 1/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 1/20 0.39
RARB P10826 1/20 0.39
MDH1 P40925 1/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
XIAP P98170 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
SCHEMBL8768333 0.96 THRB (0.49) THRBTHRASMN1; SMN2MAPTRAB9A
SCHEMBL8886085 0.96 THRB (0.46) THRBTHRASMN1; SMN2MAPTMMP2
SCHEMBL8768339 0.96 THRB (0.46) THRBTHRASMN1; SMN2MAPTMMP2
SCHEMBL8890435 0.93 THRB (0.49) THRBTHRASMN1; SMN2MAPTRAB9A
SCHEMBL8885373 0.93 THRB (0.49) THRBTHRASMN1; SMN2MAPTRAB9A
SCHEMBL7164023 0.93 THRB (0.49) THRBTHRASMN1; SMN2MAPTRAB9A
SCHEMBL8884217 0.93 THRB (0.49) THRBTHRASMN1; SMN2MAPTRAB9A
SCHEMBL8769272 0.93 THRB (0.49) THRBTHRASMN1; SMN2MAPTRAB9A
SCHEMBL8882011 0.93 THRB (0.49) THRBTHRASMN1; SMN2MAPTRAB9A
SCHEMBL8546213 0.90 THRB (0.46) THRBTHRASMN1; SMN2MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4039392-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-5595685-A THIAZOLE DERIVATIVE CANON KABUSHIKI KAISHA (JP) 1997-01-21 US disclosed
EP-0439170-B1 Mesomorphic compound, liquid crystal composition containing same, liquid crystal device using same and display apparatus CANON KK (JP) 1995-04-19 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
JP-H0439392-A LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL ELEMENT CONTAINING THE SAME CANON INC 1992-02-10 JP disclosed
EP-0460624-A2 Liquid crystal composition, liquid crystal device, display apparatus and display method CANON KABUSHIKI KAISHA (JP) 1991-12-11 EP disclosed
EP-0439170-A2 Mesomorphic compound, liquid crystal composition containing same, liquid crystal device using same and display apparatus CANON KABUSHIKI KAISHA (JP) 1991-07-31 EP disclosed