SCHEMBL9787733

SCHEMBL9787733

CCOCCOc1ccc(CCNC(=O)c2ccc(CC(=O)O)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.64
NPC1 O15118 8/20 0.63
RAB9A P51151 7/20 0.63
MAPT P10636 7/20 0.63
SMN1; SMN2 Q16637 6/20 0.63
NFKB1 P19838 1/20 0.63
NFKB2 Q00653 1/20 0.63
RELA Q04206 1/20 0.63
HPGD P15428 2/20 0.51
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 1/20 0.47
ALDH1A1 P00352 2/20 0.47
FABP2 P12104 1/20 0.47
PPARG P37231 1/20 0.47
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
LTB4R Q15722 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47

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
SCHEMBL9439608 0.82 KMT2A (0.53) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL9787729 0.82 KMT2A (0.53) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL6597221 0.82 PLA2G4B (0.57) SMN1; SMN2L3MBTL1ALDH1A1PPARDLTB4R
SCHEMBL4552938 0.77 NPC1 (0.68) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL2981083 0.76 LTA4H (0.65) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL29926191 0.76 LMNA (0.74) L3MBTL1PPARGPPARDPPARA
SCHEMBL9439602 0.75 SMN1; SMN2 (0.52) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL11357235 0.75 ESRRG (0.68) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL7295498 0.75 F10 (0.62) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL11357901 0.74 NPC1 (0.73) KMT2AMEN1NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5045567-A Propanolamine derivatives having anti-diabetic effects HOFFMANN-LA ROCHE INC. (US) 1991-09-03 US disclosed