SCHEMBL5267628

SCHEMBL5267628

CCOC(=O)c1c(CC(=O)O)[nH]c2ccc(Oc3ccc(C(F)(F)F)cc3)c(-c3ccc(OC(C)C)cc3)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
RXRG P48443 2/20 0.36
PTPN1 P18031 1/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 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
SCHEMBL5270824 0.93 PTPN1 (0.37) PPARDMEN1KMT2APOLBPTPN1
SCHEMBL5506161 0.91 BRD4 (0.38) PPARDMEN1KMT2APOLBMAPT
SCHEMBL5337927 0.87 HTR2A (0.34) PPARDMEN1KMT2APOLBPTPN1
SCHEMBL5517754 0.86 POLB (0.36) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL5503574 0.85 MEN1 (0.39) PPARDMEN1KMT2APOLBPTPN1
SCHEMBL5510893 0.84 PPARD (0.39) PPARDMEN1KMT2APOLBPTPN1
SCHEMBL5266914 0.83 MAPT (0.41) PPARDMEN1KMT2APOLBPTPN1
SCHEMBL5271428 0.83 MAPT (0.41) PPARDMEN1KMT2APOLBPTPN1
SCHEMBL5506207 0.83 TP53 (0.41) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL5516043 0.83 POLB (0.43) MEN1KMT2APOLBMAPTALDH1A1

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-1838669-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-03 EP disclosed
WO-2006077365-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed