SCHEMBL8660749

SCHEMBL8660749

Cc1cc(NC(=O)C(C)Br)c(C)c(C)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 1/20 0.45
ACAT1 P24752 1/20 0.45
SOAT1 P35610 1/20 0.45
GPR35 Q9HC97 1/20 0.34
GAA P10253 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
THRB P10828 2/20 0.34
PSMD14 O00487 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MMP2 P08253 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
THRA P10827 1/20 0.33
PKM P14618 1/20 0.32
LDHA P00338 1/20 0.32
LDHB P07195 1/20 0.32
TRPM4 Q8TD43 1/20 0.32

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
SCHEMBL4969873 0.80 GAA (0.43) GPR35GAAMEN1KMT2AMAPT
SCHEMBL19847366 0.75 SOAT2 (0.42) SOAT2ACAT1SOAT1GAATHRB
SCHEMBL9446304 0.74 SOAT2 (0.57) SOAT2ACAT1SOAT1GAAMAPT
SCHEMBL9446292 0.74 SOAT2 (0.57) SOAT2ACAT1SOAT1GAAMAPT
SCHEMBL8043445 0.71 SOAT2 (0.69) SOAT2ACAT1SOAT1NPSR1LMNA
SCHEMBL9575169 0.71 TGM2 (0.47) SOAT2ACAT1SOAT1LMNA
SCHEMBL8079767 0.71 LMNA (0.49) SOAT2ACAT1SOAT1MEN1KMT2A
SCHEMBL28622486 0.71 IDO1 (0.36) SOAT2ACAT1SOAT1GAAMEN1
SCHEMBL11731600 0.70 NPC1 (0.60) GAAMAPTLMNAPGRSCN1A
SCHEMBL24777446 0.70 SOAT2 (0.43) SOAT2ACAT1SOAT1

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-0874812-A1 NOVEL 2,3,5-TRIMETHYL-4-HYDROXY ANILIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTICAL USE THEREOF PIERRE FABRE MEDICAMENT (FR) 1998-11-04 EP disclosed
WO-1997019918-A1 NOVEL 2,3,5-TRIMETHYL-4-HYDROXY ANILIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTICAL USE THEREOF PIERRE FABRE MEDICAMENT (FR) 1997-06-05 WO disclosed