SCHEMBL12285451

SCHEMBL12285451

CCc1cc(Cc2cc(CC)c(NC(=O)Cc3ccccc3C)c(CC)c2)cc(CC)c1NC(=O)Cc1ccccc1C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.52
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 3/20 0.48
HTT P42858 2/20 0.48
MAPK8 P45983 1/20 0.47
CACNA1G O43497 1/20 0.46
CACNA1H O95180 1/20 0.46
CACNA1I Q9P0X4 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
AKR1B1 P15121 1/20 0.45
POLB P06746 2/20 0.45
SHBG P04278 1/20 0.45
ANO1 Q5XXA6 1/20 0.44
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALOX12 P18054 1/20 0.42

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
SCHEMBL16772783 0.90 NPC1 (0.56) NPC1MEN1KMT2AALDH1A1HTT
SCHEMBL12673917 0.88 NPC1 (0.44) NPC1MEN1KMT2AALDH1A1HTT
SCHEMBL12284882 0.84 KCNJ5 (0.53) NPC1MEN1KMT2AALDH1A1HTT
SCHEMBL12285484 0.84 EPHX2 (0.53) NPC1MEN1KMT2AALDH1A1HTT
SCHEMBL21388008 0.82 HPGD (0.52) NPC1MEN1KMT2AALDH1A1HTT
SCHEMBL12284510 0.80 L3MBTL1 (0.48) NPC1MEN1KMT2AALDH1A1HTT
SCHEMBL12284877 0.79 NLRP3 (0.54) NPC1MEN1KMT2AMAPK8POLB
SCHEMBL12284575 0.79 LMNA (0.50) MEN1KMT2AALDH1A1HTTMAPK8
SCHEMBL16772782 0.79 L3MBTL1 (0.52) NPC1ALDH1A1MAPK8CACNA1GCACNA1H
SCHEMBL12284572 0.79 L3MBTL1 (0.49) NPC1ALDH1A1HTTMAPK8CACNA1G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9243127-B2 Method for producing nucleator masterbatch ADEKA CORPORATION (JP) 2016-01-26 US disclosed
US-9243127-B2 Method for producing nucleator masterbatch ADEKA CORPORATION (JP) 2016-01-26 US disclosed
US-20150152248-A1 METHOD FOR PRODUCING NUCLEATOR MASTERBATCH ADEKA CORPORATION (JP) 2015-06-04 US disclosed
US-20150152248-A1 METHOD FOR PRODUCING NUCLEATOR MASTERBATCH ADEKA CORPORATION (JP) 2015-06-04 US disclosed
EP-2862883-A1 METHOD FOR PRODUCING NUCLEATOR MASTERBATCH Adeka Corporation (JP) 2015-04-22 EP disclosed
US-8288462-B2 Polyolefin resin composition ADEKA CORPORATION (JP) 2012-10-16 US disclosed
US-20110218279-A1 POLYOLEFIN RESIN COMPOSITION ADEKA CORPORATION (JP) 2011-09-08 US disclosed