SCHEMBL5339900

SCHEMBL5339900

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
LMNA P02545 2/20 0.39
LIPE Q05469 6/20 0.38
KMT2A Q03164 2/20 0.38
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RAB9A P51151 1/20 0.38
SCN9A Q15858 4/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FPR2 P25090 1/20 0.37

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
SCHEMBL5502096 0.83 BRD4 (0.39) BRD4LMNALIPEACACBACACA
SCHEMBL5343866 0.82 GPR35 (0.48) BRD4LMNALIPEACACBACACA
SCHEMBL5270466 0.80 GPR35 (0.48) BRD4LMNALIPEACACBACACA
SCHEMBL5518519 0.80 ACACB (0.37) BRD4LMNALIPEACACBACACA
SCHEMBL5269374 0.79 FFAR4 (0.36) SCN9A
SCHEMBL5267329 0.79 MCHR1 (0.35) BRD4KMT2AACACBL3MBTL1SCN9A
SCHEMBL5266914 0.79 MAPT (0.41) KMT2ARAB9AMEN1POLB
SCHEMBL5269571 0.79 PTGER4 (0.39) ACACB
SCHEMBL5273163 0.79 PRKAB2 (0.36) SCN9A
SCHEMBL5506161 0.79 BRD4 (0.38) BRD4LMNALIPEKMT2AACACB

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-1844013-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-17 EP disclosed
WO-2006077364-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed