SCHEMBL13610023

SCHEMBL13610023

COC(=O)CC(C)CCC(=O)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
HTR7 P34969 1/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.45
ALDH1A1 P00352 5/20 0.45
MAPT P10636 4/20 0.45
HTT P42858 3/20 0.45
HPGD P15428 1/20 0.42
PTPN1 P18031 1/20 0.41
PLOD2 O00469 1/20 0.41
DPP4 P27487 1/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL22118326 0.86 MAPT (0.48) NPC1RAB9AHTR7KMT2AMEN1
SCHEMBL5178522 0.85 NPC1 (0.49) NPC1RAB9AHTR7KMT2AMEN1
SCHEMBL13610020 0.85 KMT2A (0.51) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL640759 0.79 LMNA (0.60) NPC1RAB9AHTR7KMT2AMEN1
SCHEMBL24233758 0.79 NPC1 (0.51) NPC1RAB9AHTR7KMT2AMEN1
SCHEMBL13610016 0.79 KMT2A (0.47) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL17032601 0.77 NPC1 (0.62) NPC1RAB9AHTR7KMT2AMEN1
SCHEMBL14593406 0.77 EPHX2 (0.46) KDM4EALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL1533298 0.76 NPC1 (0.72) NPC1RAB9AHTR7KMT2AMEN1
SCHEMBL6814347 0.76 NPC1 (0.67) NPC1RAB9AHTR7KMT2AMEN1

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-7615233-B2 Particulate construct comprising polyhydroxyalkanoate and method for producing it CANON KABUSHIKI KAISHA (JP) 2009-11-10 US disclosed
US-7527809-B2 Polyhydroxyalkanoate-containing magnetic structure, and manufacturing method and use thereof CANON KABUSHIKI KAISHA (JP) 2009-05-05 US disclosed