SCHEMBL20224593

SCHEMBL20224593

CC(=O)NCC1CCCC(CNC(=O)C(=O)NCC2CCCC(CNC(=O)C(=O)NCC3CCCC(CNC(=O)C(=O)NCC4CCCC(CNC(=O)C(=O)NCC5CCCC(CNC(C)=O)C5)C4)C3)C2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CACNA1H O95180 1/20 0.41
EPHX1 P07099 3/20 0.40
EGFR P00533 1/20 0.40
ALOX15 P16050 1/20 0.40
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 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
SCHEMBL20224596 1.00 NPC1 (0.41) NPC1MEN1KMT2ACACNA1HEPHX1
SCHEMBL1898034 0.94 NPC1 (0.44) NPC1MEN1KMT2ACACNA1HEPHX1
SCHEMBL4761490 0.87 NPC1 (0.40) NPC1MEN1KMT2ACACNA1HEPHX1
SCHEMBL5969117 0.86
SCHEMBL10147959 0.85 CYP2D6 (0.50) NPC1MEN1KMT2ACACNA1HEPHX1
SCHEMBL14039293 0.85 NPC1 (0.43) NPC1MEN1KMT2ACACNA1HEPHX1
SCHEMBL5968680 0.81 EPHX1 (0.57) NPC1KMT2ACACNA1HEPHX1ALOX15
SCHEMBL25009603 0.79 EPHX1 (0.61) NPC1KMT2AEPHX1CA12CA1
SCHEMBL885336 0.79 EPHX1 (0.61) NPC1KMT2AEPHX1CA12CA1
SCHEMBL20125204 0.79 EPHX1 (0.61) NPC1KMT2AEPHX1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180157174-A1 NEGATIVE TYPE PHOTOSENSITIVE RESIN COMPOSITION, NEGATIVE TYPE PLANOGRAPHIC PRINTING PLATE PRECURSOR, AND METHOD OF PREPARING PLANOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2018-06-07 US disclosed