SCHEMBL5501141

SCHEMBL5501141

CCOC(=O)c1c(CC(=O)O)[nH]c2ccc(Oc3nc(C)ccc3C#N)c(-c3ccc(OC(C)C)cc3)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
MEN1 O00255 3/20 0.37
GPR55 Q9Y2T6 2/20 0.37
HTT P42858 2/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 3/20 0.36
XDH P47989 4/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
LMNA P02545 2/20 0.34
POLB P06746 2/20 0.34
S1PR1 P21453 4/20 0.34

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
SCHEMBL5502515 0.94 ALDH1A1 (0.37) ALDH1A1KMT2AKDM4EL3MBTL1MEN1
SCHEMBL5267628 0.80 PPARD (0.39) ALDH1A1KMT2AMEN1MAPTTDP1
SCHEMBL5506192 0.79 MEN1 (0.37) KMT2AMEN1MAPTTDP1CYP2C9
SCHEMBL5506161 0.77 BRD4 (0.38) KMT2AKDM4EL3MBTL1MEN1MAPT
SCHEMBL5516043 0.76 POLB (0.43) ALDH1A1KMT2AKDM4EL3MBTL1MEN1
SCHEMBL5515208 0.74 MAPT (0.38) ALDH1A1KMT2AKDM4EL3MBTL1MEN1
SCHEMBL5517754 0.74 POLB (0.36) ALDH1A1KMT2AKDM4EL3MBTL1MEN1
SCHEMBL5270824 0.73 PTPN1 (0.37) ALDH1A1KMT2AKDM4EL3MBTL1MEN1
SCHEMBL5501123 0.73 MAPT (0.37) KMT2AL3MBTL1MEN1MAPTTDP1
SCHEMBL5506461 0.72 ALOX5 (0.40) ALDH1A1KMT2AL3MBTL1MEN1MAPT

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