SCHEMBL3972869

SCHEMBL3972869

O=C(COCCc1cn(-c2ccccc2)c2ccc(C(=O)O)cc12)Nc1ccc(C2CCCCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 3/20 0.40
CYSLTR1 Q9Y271 3/20 0.40
PLA2G4A P47712 4/20 0.39
MITF O75030 1/20 0.39
KLF5 Q13887 1/20 0.39
RORC P51449 2/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
NAMPT P43490 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
METTL3 Q86U44 2/20 0.38
METTL14 Q9HCE5 2/20 0.38
ESRRA P11474 1/20 0.38
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 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
SCHEMBL3967394 0.85 PLA2G4A (0.46) PLA2G4ARORCMTNR1AMTNR1BMETTL3
SCHEMBL3971169 0.84 PLA2G4A (0.45) PLA2G4ARORCMTNR1AMTNR1B
SCHEMBL3972371 0.83 SMN1; SMN2 (0.45) PLA2G4AALDH1A1NPC1USP2
SCHEMBL3972961 0.83 RAB9A (0.45) PLA2G4ARORCMTNR1AMTNR1BALDH1A1
SCHEMBL3971114 0.83 HIF1A (0.45) PLA2G4ARORCMTNR1AMTNR1BMETTL3
SCHEMBL3976087 0.78 NPC1 (0.49) PLA2G4AMITFKLF5RORCMTNR1A
SCHEMBL3974621 0.76 MAPK8 (0.46) PLA2G4AMTNR1AMTNR1BALDH1A1HPGD
SCHEMBL4330821 0.76 CPT2 (0.48) CYSLTR2CYSLTR1MITFKLF5NAMPT
SCHEMBL3970202 0.72 RAB9A (0.47) PLA2G4AALDH1A1HPGDNPC1
SCHEMBL3972129 0.72 PLA2G4A (0.53) PLA2G4AMTNR1AMTNR1B

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
WO-2009047240-A1 INDOLE DERIVATIVES USEFUL AS PPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-04-16 WO claimed
WO-2009047240-A1 INDOLE DERIVATIVES USEFUL AS PPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-04-16 WO disclosed