SCHEMBL15211124

SCHEMBL15211124

O=C(O)CCc1ccc(OCc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 16/20 0.72
FFAR4 Q5NUL3 8/20 0.72
NR4A2 P43354 2/20 0.67
S1PR1 P21453 1/20 0.60
LTK P29376 1/20 0.60
TAOK1 Q7L7X3 1/20 0.60
S1PR5 Q9H228 1/20 0.60
NR4A1 P22736 1/20 0.55
NR4A3 Q92570 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
AKR1B1 P15121 1/20 0.54

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
SCHEMBL15211590 0.86 NR4A2 (0.59) FFAR1FFAR4NR4A2S1PR1LTK
SCHEMBL966182 0.83 KMT2A (0.67) FFAR1FFAR4NR4A2S1PR1LTK
SCHEMBL28927554 0.82 FFAR1 (0.69) FFAR1FFAR4AKR1B1
SCHEMBL30172602 0.82 FFAR1 (0.69) FFAR1FFAR4AKR1B1
SCHEMBL11705511 0.81 NR4A2 (0.58) FFAR1FFAR4NR4A2S1PR1LTK
SCHEMBL11656658 0.81 FFAR1 (0.58) FFAR1FFAR4NR4A2
SCHEMBL11702978 0.80 S1PR1 (0.63) FFAR1FFAR4S1PR1S1PR5MEN1
SCHEMBL5514493 0.80 KMT2A (0.67) FFAR1FFAR4NR4A2S1PR1LTK
SCHEMBL1746557 0.79 FFAR1 (0.67) FFAR1FFAR4AKR1B1
SCHEMBL5510087 0.78 NR4A2 (0.61) FFAR1NR4A2S1PR1LTKTAOK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2838891-B1 AROMATIC RING COMPOUND AS GHRELIN O-ACYLTRANSFERASE INHIBITOR TAKEDA PHARMACEUTICALS CO (JP) 2017-08-02 EP disclosed
US-9238639-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-19 US disclosed
EP-2838891-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-02-25 EP disclosed
WO-2013125732-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-29 WO disclosed