SCHEMBL6590519

SCHEMBL6590519

CCCc1cc(OC)c2nc(C(=O)O)cc(O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.47
ALOX15 P16050 1/20 0.41
IGFBP5 P24593 1/20 0.39
PIM1 P11309 1/20 0.39
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
IGFBP3 P17936 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
HMGCR P04035 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
ALOX5 P09917 1/20 0.36
ECE1 P42892 1/20 0.36

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
SCHEMBL6591842 0.90 PPARA (0.51) GPR35PPARGPPARAHCAR2ALOX5
SCHEMBL6080683 0.89 NPC1 (0.40) GPR35PIM1ALDH1A1NPC1RAB9A
SCHEMBL6593629 0.88 ALOX5 (0.49) GPR35ALOX15IGFBP5PIM1POLB
SCHEMBL6080363 0.85 HCAR2 (0.42) GPR35IGFBP5RAB9AIGFBP3PPARA
SCHEMBL6079179 0.80 PPARG (0.44) ALOX15ALDH1A1PPARGPPARAALOX5
SCHEMBL6597613 0.80 ALOX15 (0.45) GPR35ALOX15PIM1ALDH1A1GAA
SCHEMBL6593859 0.80 GPR35 (0.56) GPR35ALOX15IGFBP5PIM1ALDH1A1
SCHEMBL6599593 0.80 GPR35 (0.52) GPR35ALOX15IGFBP5PIM1ALDH1A1
SCHEMBL6590987 0.79 GPR35 (0.51) GPR35ALOX15IGFBP5PIM1ALDH1A1
SCHEMBL6594662 0.79 GPR35 (0.51) GPR35ALOX15IGFBP5PIM1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP claimed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO claimed
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP disclosed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO disclosed