SCHEMBL3899346

SCHEMBL3899346

N#Cc1cccc(OCCCC(=O)c2ccc(C(=O)O)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.50
KMT2A Q03164 1/20 0.48
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GSK3B P49841 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PLA2G4B P0C869 1/20 0.45

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
SCHEMBL3894625 0.92 ALDH1A1 (0.50) GSK3BL3MBTL1
SCHEMBL3900534 0.88 MMP3 (0.49) GSK3BL3MBTL1
SCHEMBL14131971 0.88 GSK3B (0.50) KMT2AHTTSMN1; SMN2GSK3BL3MBTL1
SCHEMBL3911504 0.85 THRA (0.46) GSK3BL3MBTL1
SCHEMBL3898501 0.84 FFAR1 (0.54) SMN1; SMN2
SCHEMBL3901407 0.80 NPC1 (0.60) KMT2AHTTSMN1; SMN2
SCHEMBL4839630 0.80 FFAR1 (0.53) SMN1; SMN2
SCHEMBL3910475 0.79 MMP2 (0.63) SMN1; SMN2GSK3BL3MBTL1
SCHEMBL8605642 0.79 PKM (0.69) PKMHTTL3MBTL1PLA2G4B
SCHEMBL4841724 0.77 SMN1; SMN2 (0.46) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed
EP-0976722-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2000-02-02 EP disclosed