SCHEMBL5266845

SCHEMBL5266845

CC(C)Oc1ccc(-c2c(Oc3ccc(C(F)(F)F)cc3)ccc3[nH]c(CC(=O)N(C(=O)O)C4CC4)c(C(=O)O)c23)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.34
PPARD Q03181 1/20 0.34
HTR2A P28223 4/20 0.33
PTPN5 P54829 1/20 0.32
GCK P35557 2/20 0.31
ELOVL6 Q9H5J4 1/20 0.31
FFAR1 O14842 1/20 0.31
MDM2 Q00987 1/20 0.30
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30
SCN9A Q15858 1/20 0.30

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
Water SCHEMBL5270309 0.99 FFAR4 (0.34) FFAR4PPARDHTR2APTPN5GCK
SCHEMBL5337927 0.87 HTR2A (0.34) FFAR4PPARDHTR2AGCK
SCHEMBL5267628 0.81 PPARD (0.39) PPARDFFAR1RXRARXRBRXRG
SCHEMBL5502236 0.79 FFAR1 (0.38) PPARDFFAR1
SCHEMBL5501032 0.79 THRA (0.40) FFAR4PPARDPTPN5RXRARXRB
SCHEMBL5270824 0.79 PTPN1 (0.37) PPARDPTPN5
SCHEMBL5502096 0.78 BRD4 (0.39) PPARDSCN9A
SCHEMBL5505765 0.78 PTGDR2 (0.44) PPARDFFAR1RXRARXRBRXRG
SCHEMBL5507776 0.77 RXRA (0.42) PPARDGCKFFAR1RXRARXRB
SCHEMBL5507821 0.76 ACACB (0.39) FFAR4FFAR1MDM2

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