SCHEMBL6597503

SCHEMBL6597503

COc1cc(C=O)cc2c(O)cc(C(=O)O)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.49
ALDH1A1 P00352 5/20 0.44
TDP1 Q9NUW8 4/20 0.44
TRIM24 O15164 1/20 0.44
HPGD P15428 1/20 0.44
ALDH5A1 P51649 1/20 0.44
ABAT P80404 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
ALOX15 P16050 1/20 0.43
AOX1 Q06278 1/20 0.41
IGFBP3 P17936 2/20 0.39
PIM1 P11309 3/20 0.38
TSHR P16473 1/20 0.37
KDM4E B2RXH2 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 2/20 0.37
PKM P14618 2/20 0.37
RAB9A P51151 1/20 0.37
CA12 O43570 1/20 0.37

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
SCHEMBL6080867 0.88 ALDH1A1 (0.43) GPR35ALDH1A1TDP1TRIM24HPGD
SCHEMBL6591557 0.87 GPR35 (0.47) GPR35ALDH1A1TDP1HPGDALOX15
SCHEMBL6591560 0.87 GPR35 (0.47) GPR35ALDH1A1TDP1HPGDALOX15
SCHEMBL6594662 0.83 GPR35 (0.51) GPR35ALDH1A1TDP1ALOX15IGFBP3
SCHEMBL6080551 0.83 KDM4E (0.39) GPR35TDP1ALOX15IGFBP3TSHR
SCHEMBL6599593 0.82 GPR35 (0.52) GPR35ALDH1A1TDP1ALOX15IGFBP3
SCHEMBL6593859 0.82 GPR35 (0.56) GPR35ALDH1A1TDP1ALOX15IGFBP3
SCHEMBL6588975 0.81 GPR35 (0.51) GPR35ALDH1A1TDP1ALOX15IGFBP3
SCHEMBL6590987 0.81 GPR35 (0.51) GPR35ALDH1A1TDP1ALOX15IGFBP3
SCHEMBL6595262 0.77 ALOX15 (0.51) GPR35ALDH1A1ALOX15IGFBP3KDM4E

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