SCHEMBL5506955

SCHEMBL5506955

CC(C)Oc1ccc(-c2c(-c3ccc(C(F)(F)F)cn3)ccc3[nH]c(-c4ccc(C(=O)O)cc4)c(C(=O)O)c23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
BTK Q06187 1/20 0.39
MCHR1 Q99705 1/20 0.38
GCK P35557 1/20 0.37
PPARD Q03181 2/20 0.36
CYP2C8 P10632 1/20 0.36
MAPK1 P28482 1/20 0.35
MAP2K4 P45985 1/20 0.35
MAPKAPK3 Q16644 1/20 0.35
MAPK6 Q16659 1/20 0.35
BRD4 O60885 1/20 0.35
PTPN11 Q06124 1/20 0.35
MAP4K4 O95819 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
PTPN5 P54829 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
PIM3 Q86V86 2/20 0.33
SRD5A2 P31213 1/20 0.33

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
SCHEMBL5570207 0.84 GPR35 (0.36) MCHR1GCKPPARDBRD4PTPN5
SCHEMBL5573431 0.84 MCHR1 (0.37) MCHR1GCKPPARDPTPN5ALOX5AP
SCHEMBL5502186 0.82 PTPN11 (0.39) BTKMCHR1GCKPPARDPTPN11
SCHEMBL5509633 0.82 DGAT1 (0.35) MCHR1PPARDPTPN5ALOX5APFEN1
SCHEMBL5267329 0.80 MCHR1 (0.35) KMT2AMCHR1PPARDBRD4PTPN5
SCHEMBL5272120 0.80 MCHR1 (0.34) KMT2AMCHR1PPARDBRD4PTPN5
SCHEMBL5509248 0.79 MCL1 (0.40) GCKPPARDMCL1
SCHEMBL5574005 0.79 KDM4E (0.43) KMT2AMCHR1GCKPPARD
SCHEMBL5570203 0.79 KDM4E (0.43) KMT2AMCHR1GCKPPARD
SCHEMBL5574783 0.78 KDM4E (0.44) KMT2AMCHR1GCKPPARDBRD4

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