SCHEMBL6738768

SCHEMBL6738768

CCCCCCOCCOc1cc2c3cc(OCCOCCCCCC)c(OCCOCCCCCC)cc3c3cc(OCCOCCCCCC)c(OCCOCCCCCC)cc3c2cc1OCCOCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 2/20 0.48
THRB P10828 1/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 2/20 0.41
CYP3A4 P08684 2/20 0.41
ALDH1A1 P00352 2/20 0.41
USP2 O75604 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLCO1B3 Q9NPD5 1/20 0.41
SLCO1B1 Q9Y6L6 1/20 0.41
SMPD1 P17405 3/20 0.40
TLR8 Q9NR97 1/20 0.40
NR1I2 O75469 1/20 0.39
CHRM2 P08172 1/20 0.39
ADRA2A P08913 1/20 0.39
OPRK1 P41145 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
SCHEMBL7641945 1.00 MEN1 (0.48) MEN1KMT2AMAPTTHRBHTT
SCHEMBL6737587 0.91 SMPD1 (0.43) MEN1KMT2AMAPTTHRBHTT
SCHEMBL6741304 0.91 SMPD1 (0.43) MEN1KMT2AMAPTTHRBHTT
SCHEMBL6737600 0.91 SMPD1 (0.43) MEN1KMT2AMAPTTHRBHTT
SCHEMBL202536 0.90 NR5A1 (0.45) MEN1KMT2AMAPTLMNACYP3A4
SCHEMBL12918761 0.90 NR5A1 (0.45) MEN1KMT2AMAPTLMNACYP3A4
SCHEMBL6743869 0.90 NR5A1 (0.45) MEN1KMT2AMAPTLMNACYP3A4
SCHEMBL8975367 0.90 NR5A1 (0.45) MEN1KMT2AMAPTLMNACYP3A4
SCHEMBL20678395 0.90 NR5A1 (0.45) MEN1KMT2AMAPTLMNACYP3A4
SCHEMBL8974064 0.90 NR5A1 (0.45) MEN1KMT2AMAPTLMNACYP3A4

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
US-6692658-B2 MIXTURE OF LIQUID CRYSTALS, POLYETHER AND METAL COMPOUND CANON KABUSHIKI KAISHA (JP) 2004-02-17 US disclosed
US-6464904-B1 COMPONENT FOR AN ELECTROLYTE OF, E.G., SECONDARY BATTERY; TRIPHENYLENE DERIVATIVE HAS AN IONIC CONDUCTIVITY ANISOTROPY DUE TO ITS COLUMNAR STRUCTURE IN DISCOTIC LIQUID CRYSTAL PHASE CANON KABUSHIKI KAISHA (JP) 2002-10-15 US disclosed
US-20020017632-A1 Electrolyte and secondary cell CANON KABUSHIKI KAISHA (JP) 2002-02-14 US disclosed
JP-2000336052-A ION TRANSPORT COMPOUND, ION TRANSPORT COMPOSITION AND METHOD FOR ION TRANSPORT CANON INC 2000-12-05 JP disclosed
JP-2000336053-A TRIPHENYLENE DERIVATIVE COMPOUND CANON INC 2000-12-05 JP disclosed