SCHEMBL5210645

SCHEMBL5210645

CC(C)Oc1ccc(-c2c(C(=O)O)[nH]c3ccc(-c4ccc(OC(C)C)nc4)cc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
GFER P55789 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ACACB O00763 1/20 0.44
ACACA Q13085 1/20 0.44
MAP2 P11137 2/20 0.42
GPR35 Q9HC97 4/20 0.40
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL5212831 0.96 ACACB (0.44) KDM4EALDH1A1HPGDMEN1HTT
SCHEMBL5212633 0.87 ALDH1A1 (0.49) KDM4EALDH1A1HPGDMEN1HTT
SCHEMBL5343866 0.81 GPR35 (0.48) ACACBACACAGPR35MAPK1
SCHEMBL5273891 0.78 KDM4E (0.51) KDM4EALDH1A1HPGDMEN1HTT
SCHEMBL5269262 0.76 JAK2 (0.51) KDM4EALDH1A1HPGDMEN1HTT
SCHEMBL5270466 0.75 GPR35 (0.48) ACACBACACAGPR35MAPK1
SCHEMBL5204577 0.74 PTGES (0.39) ACACBACACAGPR35GABRA1GABRG2
SCHEMBL5273364 0.74 KDM4E (0.44) KDM4EALDH1A1HPGDMEN1HTT
SCHEMBL5270273 0.74 MAP2 (0.55) KDM4EALDH1A1HPGDMEN1HTT
SCHEMBL5299189 0.74 PTGES (0.52) KDM4EALDH1A1HPGDMEN1HTT

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-1778632-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-05-02 EP disclosed
WO-2005123673-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2005-12-29 WO disclosed