SCHEMBL9716353

SCHEMBL9716353

CCCCCc1ccc2cc(CCCOCC(O)CSCCOCCOC3CCCCO3)ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
PLA2G4B P0C869 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CASR P41180 1/20 0.33
BCHE P06276 1/20 0.33
SIGMAR1 Q99720 4/20 0.32
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLCO1B3 Q9NPD5 1/20 0.31
SLCO1B1 Q9Y6L6 1/20 0.31

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
SCHEMBL9716283 0.86 USP2 (0.40) PLA2G4BADORA3MEN1KMT2AUSP2
SCHEMBL9716337 0.78 USP2 (0.40) PLA2G4BADORA3MEN1KMT2AUSP2
SCHEMBL9716311 0.77 USP2 (0.39) ADORA3MEN1KMT2AUSP2ALDH1A1
SCHEMBL9716236 0.75 MEN1 (0.34) MEN1KMT2ASPHK1
SCHEMBL9716286 0.73 MEN1 (0.30) MEN1KMT2A
SCHEMBL9716220 0.71 MEN1 (0.34) NPC1RAB9AKDM4CADORA3MEN1
SCHEMBL19889504 0.70 KDM4C (0.40) NPC1RAB9AKDM4CMEN1KMT2A
SCHEMBL10538901 0.69 MEN1 (0.39) NPC1RAB9AKDM4CMEN1KMT2A
SCHEMBL13996379 0.69 USP2 (0.50) MEN1KMT2AUSP2ALDH1A1CYP3A4
SCHEMBL14278870 0.68 ALDH1A1 (0.46) NPC1RAB9AKDM4CMEN1KMT2A

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-5103007-A Antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-04-07 US disclosed
EP-0378763-A1 Lipids, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-07-25 EP disclosed