SCHEMBL15543166

SCHEMBL15543166

O=C(COc1ccc(CCC=NOCc2ccc(C(F)(F)F)cc2)cc1)N1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 6/20 0.51
ALDH1A1 P00352 6/20 0.48
POLB P06746 1/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
MDH1 P40925 1/20 0.46
MDH2 P40926 1/20 0.46
HPGD P15428 2/20 0.45
USP2 O75604 1/20 0.45
ENPP2 Q13822 2/20 0.45
KDM4E B2RXH2 2/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL15543282 0.88 MDH1 (0.45) ALDH1A1MAPTMDH1MDH2USP2
SCHEMBL15543059 0.86 EPHX2 (0.43) ALDH1A1POLBKMT2AMAPTKEAP1
SCHEMBL15543370 0.83 MDH1 (0.40) ALDH1A1KMT2AMAPTSMN1; SMN2MDH1
SCHEMBL15543206 0.83 L3MBTL1 (0.51) SMN1; SMN2MDH1MDH2ENPP2KDM4E
SCHEMBL4729104 0.82 PPARD (0.52) SMN1; SMN2
SCHEMBL12476505 0.80 FAAH (0.43) ALDH1A1SMN1; SMN2LMNA
SCHEMBL15543281 0.80 FKBP1A (0.54) FKBP1AALDH1A1POLBKMT2AMAPT
SCHEMBL15543283 0.80 FKBP1A (0.54) FKBP1AALDH1A1POLBKMT2AMAPT
SCHEMBL15543249 0.80 MAPT (0.61) ALDH1A1POLBKMT2AMAPTSMN1; SMN2
SCHEMBL15543164 0.79 FKBP1A (0.55) FKBP1AALDH1A1POLBKMT2AMAPT

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-2864309-A1 COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER DISEASES Cadila Healthcare Limited (IN) 2015-04-29 EP disclosed
WO-2014002105-A1 COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER DISEASES CADILA HEALTHCARE LIMITED (IN) 2014-01-03 WO disclosed