SCHEMBL5373358

SCHEMBL5373358

CC(C)Oc1ccc(-c2c(C(=O)O)[nH]c3ccc(Oc4ccc(Cl)c(OC(F)(F)F)c4)cc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 7/20 0.42
JAK2 O60674 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GPR35 Q9HC97 3/20 0.39
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
FFAR1 O14842 2/20 0.35
FFAR4 Q5NUL3 2/20 0.35

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
SCHEMBL5273364 0.89 KDM4E (0.44) MAP2ALDH1A1HPGDKDM4EMEN1
SCHEMBL5269262 0.86 JAK2 (0.51) MAP2JAK2ALDH1A1HPGDKDM4E
SCHEMBL5273163 0.85 PRKAB2 (0.36) JAK2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL5273891 0.81 KDM4E (0.51) MAP2ALDH1A1HPGDKDM4EMEN1
SCHEMBL5270236 0.81 GPR17 (0.43) ALDH1A1HPGDKDM4EMEN1HTT
SCHEMBL5270273 0.81 MAP2 (0.55) MAP2ALDH1A1HPGDKDM4EMEN1
SCHEMBL5271483 0.81 RORC (0.36) JAK2KDM4EMEN1KMT2APRKAB2
SCHEMBL5272029 0.80 GPR35 (0.48) MAP2ALDH1A1HPGDKDM4EMEN1
SCHEMBL5343008 0.79 GPR17 (0.44) ALDH1A1HPGDKDM4EMEN1HTT
SCHEMBL5269374 0.77 FFAR4 (0.36) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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-1844013-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-17 EP disclosed
WO-2006077364-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed