SCHEMBL5518519

SCHEMBL5518519

CC(C)Oc1ccc(-c2c(Oc3ccc(CC(F)(F)F)cn3)ccc3[nH]c(C(=O)O)c(C(=O)O)c23)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 11/20 0.37
ACACA Q13085 7/20 0.37
LIPE Q05469 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
SCN9A Q15858 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
BRD4 O60885 1/20 0.31
ADAMTS4 O75173 1/20 0.31
PPARD Q03181 2/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 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
SCHEMBL5339900 0.80 BRD4 (0.40) ACACBACACALIPESCN9ALMNA
SCHEMBL5502096 0.79 BRD4 (0.39) ACACBACACALIPESCN9ALMNA
SCHEMBL5506161 0.72 BRD4 (0.38) ACACBACACALIPESCN9ALMNA
SCHEMBL5343866 0.72 GPR35 (0.48) ACACBACACALIPESCN9ALMNA
SCHEMBL5508772 0.70 MAPT (0.41) ACACBACACALMNAPOLB
SCHEMBL5270466 0.70 GPR35 (0.48) ACACBACACALIPESCN9ALMNA
SCHEMBL5271009 0.70 BRD4 (0.36) ACACBACACALIPESCN9ALMNA
SCHEMBL5269374 0.68 FFAR4 (0.36) SCN9A
SCHEMBL5501032 0.68 THRA (0.40) RXRARXRBRXRGPPARDPPARG
SCHEMBL5269571 0.67 PTGER4 (0.39) ACACBRXRARXRBPPARD

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