SCHEMBL721811

SCHEMBL721811

CCCCCCCCCCCCOc1cscc1CCCCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.38
PTGS2 P35354 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK1 P28482 1/20 0.38
RAD52 P43351 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CNR1 P21554 7/20 0.38
CNR2 P34972 7/20 0.38
NR1I2 O75469 1/20 0.37
LMNA P02545 1/20 0.37
CHRM2 P08172 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADRA2A P08913 1/20 0.37
OPRK1 P41145 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL9641248 0.96 MEN1 (0.37) ALOX5PTGS2MEN1KMT2AHTT
SCHEMBL9642087 0.96 TSHR (0.39) ALOX5PTGS2MEN1KMT2AHTT
SCHEMBL23317299 0.89 ALOX5 (0.38) ALOX5PTGS2MEN1KMT2AHTT
SCHEMBL9642052 0.89 CYP1A2 (0.39) HTTMAPTSMN1; SMN2MAPK1CYP3A4
SCHEMBL18729787 0.87 MEN1 (0.37) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL739572 0.85 NR5A1 (0.44) MEN1KMT2AMAPTNR1I2LMNA
SCHEMBL741426 0.85 NR5A1 (0.44) MEN1KMT2AMAPTNR1I2LMNA
SCHEMBL2745290 0.85 NR5A1 (0.44) MEN1KMT2AMAPTNR1I2LMNA
SCHEMBL738622 0.85 NR5A1 (0.44) MEN1KMT2AMAPTNR1I2LMNA
SCHEMBL739382 0.85 NR5A1 (0.44) MEN1KMT2AMAPTNR1I2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150414-B2 Nanocomposite and dispersion comprising the same KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2015-10-06 US disclosed
US-20120053288-A1 NANOCOMPOSITE AND DISPERSION COMPRISING THE SAME KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2012-03-01 US disclosed