SCHEMBL5524203

SCHEMBL5524203

CCOC(=O)Cc1[nH]c2ccc(Oc3ccc(C(F)(F)F)cc3)c(-c3cccc(OC)c3)c2c1C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.41
CACNB4 O00305 2/20 0.39
CACNA1A O00555 2/20 0.39
CACNA1G O43497 2/20 0.39
CACNG3 O60359 2/20 0.39
CACNA1F O60840 2/20 0.39
CACNA1H O95180 2/20 0.39
CACNB3 P54284 2/20 0.39
CACNA2D1 P54289 2/20 0.39
CACNG7 P62955 2/20 0.39
CACNA1B Q00975 2/20 0.39
CACNA1D Q01668 2/20 0.39
CACNB1 Q02641 2/20 0.39
CACNG1 Q06432 2/20 0.39
CACNB2 Q08289 2/20 0.39
CACNA1S Q13698 2/20 0.39
CACNA1C Q13936 2/20 0.39
CACNA1E Q15878 2/20 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
SCHEMBL5508776 0.87 POLB (0.41) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL5510893 0.87 PPARD (0.39) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL5501894 0.87 POLB (0.39) MEN1KMT2APOLBCACNB4CACNA1A
SCHEMBL5506207 0.86 TP53 (0.41) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL5505105 0.86 ALOX5 (0.43) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL5503574 0.85 MEN1 (0.39) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL5270824 0.85 PTPN1 (0.37) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL5509130 0.84 DHFR (0.38) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL5503249 0.82 KDM4E (0.37) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL5516043 0.79 POLB (0.43) MEN1KMT2APOLBACHEKDM4E

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-1841735-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP disclosed
WO-2006077366-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed