SCHEMBL4424832

SCHEMBL4424832

C1=Cc2c(cccc2OCCCOC2CCCCO2)[N]1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4C Q9H3R0 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
DHFR P00374 1/20 0.34
TGFBR1 P36897 2/20 0.33
TGFBR2 P37173 1/20 0.33
P2RX3 P56373 3/20 0.33
HRH3 Q9Y5N1 1/20 0.32
MCHR1 Q99705 1/20 0.31
ICAM1 P05362 1/20 0.30
SELE P16581 1/20 0.30
MET P08581 1/20 0.30

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
SCHEMBL6099052 0.79 KMT2A (0.49) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL31013566 0.77 MEN1 (0.46) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL29234119 0.76 MEN1 (0.46) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL11168223 0.75 MEN1 (0.44) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL6000386 0.75 MEN1 (0.48) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL3446617 0.74 MEN1 (0.46) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL8350940 0.74 MEN1 (0.50) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL5249245 0.74 KMT2A (0.50) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL30763940 0.74 KMT2A (0.45) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL28619035 0.74 MEN1 (0.52) MEN1KMT2AKDM4CL3MBTL1NPC1

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
EP-2094662-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS Astellas Pharma Inc. (JP) 2009-09-02 EP disclosed
WO-2008072784-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2008-06-19 WO disclosed