SCHEMBL4600843

SCHEMBL4600843

C=CC(=O)Oc1c(OCCOC)cccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.50
NPC1 O15118 2/20 0.50
RECQL P46063 2/20 0.50
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 5/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 8/20 0.44
HTT P42858 3/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 2/20 0.44
EGFR P00533 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 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
SCHEMBL4600425 0.82 MAPT (0.46) KMT2ASMN1; SMN2MAPTMEN1ALDH1A1
SCHEMBL4601601 0.81 EGFR (0.47) KMT2ASMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL4600130 0.80 EGFR (0.47) KMT2ASMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL1340747 0.77 RAB9A (0.83) RAB9ANPC1RECQLKMT2ASMN1; SMN2
SCHEMBL4602183 0.77 EGFR (0.47) NPC1KMT2AMAPTMEN1MAPK1
SCHEMBL27850556 0.77 TDP1 (0.49) RAB9ANPC1KMT2ASMN1; SMN2POLB
SCHEMBL4601033 0.76 EGFR (0.44) KDM4EEGFR
SCHEMBL4600744 0.75 GPR35 (0.47) RAB9ANPC1RECQLKMT2APOLB
SCHEMBL4600628 0.74 EGFR (0.47) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL28478554 0.74 HSPB1 (0.43) RAB9ANPC1RECQLKMT2APOLB

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-1912645-A2 THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2008-04-23 EP disclosed
WO-2007018314-A2 THERAPEUTIC AGENT FOR DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 WO disclosed