SCHEMBL5574008

SCHEMBL5574008

CC(C)Oc1ccc(-c2c(-c3ccc(C(F)(F)F)cn3)ccc3[nH]c(C(=O)O)c(CN(CO)CCO)c23)cc1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.34
SCN9A Q15858 6/20 0.33
MCL1 Q07820 1/20 0.33
DGAT1 O75907 9/20 0.32
PPARD Q03181 1/20 0.31
GPR35 Q9HC97 1/20 0.31
GCK P35557 1/20 0.31

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
SCHEMBL5509248 0.84 MCL1 (0.40) MCL1DGAT1PPARDGPR35GCK
SCHEMBL5573431 0.83 MCHR1 (0.37) MCHR1SCN9AMCL1DGAT1PPARD
SCHEMBL5570207 0.83 GPR35 (0.36) MCHR1MCL1DGAT1PPARDGPR35
SCHEMBL5509633 0.80 DGAT1 (0.35) MCHR1MCL1DGAT1PPARDGPR35
SCHEMBL5571417 0.79 KDM4E (0.43) SCN9ADGAT1PPARDGCK
SCHEMBL5502186 0.78 PTPN11 (0.39) MCHR1SCN9ADGAT1PPARDGPR35
SCHEMBL5267329 0.78 MCHR1 (0.35) MCHR1SCN9ADGAT1PPARD
SCHEMBL5574783 0.77 KDM4E (0.44) MCHR1DGAT1PPARDGCK
SCHEMBL5272120 0.77 MCHR1 (0.34) MCHR1SCN9ADGAT1PPARD
SCHEMBL5506955 0.77 KMT2A (0.39) MCHR1MCL1PPARDGCK

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-1841736-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP disclosed
WO-2006077367-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed