SCHEMBL4674819

SCHEMBL4674819

O=C(O)Oc1ccc(COc2ccc(-c3ccccc3)cc2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 6/20 0.47
FFAR1 O14842 1/20 0.46
NR4A2 P43354 1/20 0.43
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
SMPD1 P17405 2/20 0.41
GSTP1 P09211 1/20 0.41
MMP3 P08254 1/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40

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
SCHEMBL1756396 0.79 NR4A2 (0.62) PTGER4FFAR1NR4A2PPARGPPARD
SCHEMBL17714039 0.70 KMT2A (0.55) PPARGNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL2760661 0.70 KMT2A (0.55) PPARGNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6661351 0.70 RAB9A (0.50) PPARGHPGDNPC1RAB9AMAPT
Bicarbonate SCHEMBL9638235 0.70 FFAR1 (0.71) PTGER4FFAR1NR4A2PPARGPPARD
SCHEMBL4686959 0.69 PTGER4 (0.73) PTGER4FFAR1NR4A2PPARGPPARD
SCHEMBL4672078 0.69 PPARD (0.50) PTGER4FFAR1PPARGPPARDSMPD1
SCHEMBL4671564 0.69 NPC1 (0.50) PTGER4FFAR1SMPD1NPC1RAB9A
SCHEMBL4693788 0.69 PTGER4 (0.70) PTGER4
Biphenyl SCHEMBL6667027 0.69 KMT2A (0.53) PPARGNPC1RAB9AMAPTSMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663936-B1 BIARYLOXYMETHYLARENE-CARBOXYLIC ACIDS HOFFMANN LA ROCHE (CH) 2008-01-09 EP claimed