SCHEMBL5281847

SCHEMBL5281847

CC(C)(C)c1ccc(-c2ccc3[nH]c(C(=O)O)c(-c4ccc(S(C)(=O)=O)cc4)c3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
MEN1 O00255 1/20 0.48
HTT P42858 1/20 0.48
GFER P55789 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GPR35 Q9HC97 4/20 0.47
PTGS2 P35354 6/20 0.46
MAP2 P11137 1/20 0.45
MAPT P10636 1/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL13174695 0.79 KDM4E (0.67) KDM4EALDH1A1HPGDMEN1HTT
SCHEMBL3947323 0.78 BRD4 (0.54) KDM4EALDH1A1HPGDMEN1HTT
SCHEMBL4930867 0.78 UQCRB (0.56) KDM4EALDH1A1HPGDMEN1HTT
SCHEMBL3945167 0.78 BRD4 (0.61) KDM4EALDH1A1HPGDMEN1HTT
SCHEMBL4762476 0.78 BRD4 (0.53) KDM4EALDH1A1HPGDMEN1HTT
SCHEMBL4933597 0.77 GPR35 (0.53) ALDH1A1MEN1GFERKMT2AGPR35
SCHEMBL3946651 0.77 BRD4 (0.53) ALDH1A1MEN1GFERKMT2AGPR35
SCHEMBL5151357 0.77 KDM4E (0.51) KDM4EALDH1A1HPGDMEN1HTT
SCHEMBL4933945 0.77 MAPT (0.59) ALDH1A1HPGDMEN1GFERKMT2A
Dimethylamine SCHEMBL4931369 0.76 BRD4 (0.59) 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