SCHEMBL5757559

SCHEMBL5757559

O=C(O)c1sccc1COc1ccc(-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 8/20 0.51
NR4A2 P43354 2/20 0.47
FFAR1 O14842 1/20 0.47
DHODH Q02127 1/20 0.46
SLC6A1 P30531 1/20 0.45
PTPN1 P18031 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PTPRA P18433 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PTPRC P08575 1/20 0.44
MCL1 Q07820 1/20 0.44
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
MAP4K4 O95819 1/20 0.43

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
SCHEMBL8936259 0.91 SLC6A1 (0.51) NR4A2FFAR1SLC6A1PTPN1NPC1
SCHEMBL11282578 0.81 RXRA (0.43) FFAR1PTPN1NPC1RAB9AMEN1
SCHEMBL3030815 0.78 ALDH1A1 (0.51) FFAR1SLC6A1NPC1RAB9AMEN1
SCHEMBL26784498 0.77 DHODH (0.49) FFAR1DHODHPTPN1MEN1KMT2A
SCHEMBL11114853 0.77 LTB4R (0.56) FFAR1
SCHEMBL11115339 0.77 NPC1 (0.43) FFAR1SLC6A1NPC1RAB9AMEN1
SCHEMBL11114850 0.76 AKR1C3 (0.47) FFAR1NPC1RAB9AMEN1KMT2A
SCHEMBL9026335 0.75 RXRA (0.54) PTPN1RAB9APTPRC
SCHEMBL1760344 0.75 TP53 (0.56) PTGER4NR4A2FFAR1PTPN1PTPRC
SCHEMBL10984633 0.75 ALDH1A1 (0.39) PTGER4FFAR1NPC1RAB9AMEN1

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-1663936-A1 BIARYLOXYMETHYLARENE-CARBOXYLIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-07 EP disclosed
WO-2005000781-A1 BIARYLOXYMETHYLARENE-CARBOXYLIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2005-01-06 WO disclosed