SCHEMBL5313798

SCHEMBL5313798

CCOC(=O)CCC(=O)c1cccc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.57
LMNA P02545 4/20 0.53
CTNNB1 P35222 4/20 0.51
WNT3A P56704 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.49
TDP1 Q9NUW8 2/20 0.49
POLB P06746 1/20 0.49
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
MAPT P10636 5/20 0.47
HPGD P15428 4/20 0.47
HTT P42858 4/20 0.47
KDM4E B2RXH2 4/20 0.47
NPSR1 Q6W5P4 3/20 0.47
TSHR P16473 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KCNH2 Q12809 1/20 0.47
RAB9A P51151 1/20 0.47
HSD17B10 Q99714 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
SCHEMBL1167035 0.86 NPC1 (0.55) NPC1LMNASMN1; SMN2TDP1POLB
SCHEMBL315926 0.84 CTNNB1 (0.54) NPC1LMNACTNNB1WNT3ASMN1; SMN2
SCHEMBL3949461 0.84 CTNNB1 (0.60) CTNNB1WNT3ASMN1; SMN2TDP1MAPT
SCHEMBL20945667 0.84 LMNA (0.43) NPC1LMNASMN1; SMN2TDP1CES2
SCHEMBL15058686 0.83 RXFP1 (0.51) NPC1LMNACTNNB1WNT3ASMN1; SMN2
SCHEMBL30666322 0.83 CTNNB1 (0.50) CTNNB1WNT3ASMN1; SMN2TDP1MAPT
SCHEMBL30666326 0.83 RXFP1 (0.51) NPC1LMNACTNNB1WNT3ASMN1; SMN2
SCHEMBL8384471 0.81 CTNNB1 (0.54) CTNNB1WNT3APOLBCES2MAPT
SCHEMBL4686898 0.81 LMNA (0.61) NPC1LMNATDP1POLBMAPT
SCHEMBL15058334 0.81 ERCC5 (0.51) LMNASMN1; SMN2MAPTHPGDMEN1

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
WO-2007062797-A1 AMINO-SUBSTITUTED AZO-HETEROCYCLIC COMPOUNDS FOR TREATING INFLAMMATORY CONDITIONS 7TM PHARMA A/S (DK) 2007-06-07 WO disclosed
WO-2007062677-A1 THIAZOLYL- AND PYRIMIDINYL-ACETIC ACIDS AND THEIR USE AS CRTH2 RECEPTOR LIGANDS 7TM PHARMA A/S (DK) 2007-06-07 WO disclosed