SCHEMBL16319124

SCHEMBL16319124

COc1ccc(F)c(-c2ccc(OC(=O)C(C)(C)C)cc2C(=O)NNC(=O)C(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.39
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PRTN3 P24158 1/20 0.37
FFAR1 O14842 6/20 0.37
POLQ O75417 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CPS1 P31327 1/20 0.35

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
SCHEMBL16319300 0.76 FFAR1 (0.48) HTTFFAR1
SCHEMBL16318824 0.74 ALDH1A1 (0.45) KDM4EHTTSMN1; SMN2FFAR1POLQ
SCHEMBL2312339 0.74 FFAR1 (0.45) FFAR1
SCHEMBL25189947 0.72 DHODH (0.47) SMN1; SMN2L3MBTL1FFAR1POLQCPS1
SCHEMBL16318901 0.71 FFAR1 (0.53) FFAR1
SCHEMBL2314852 0.71 FFAR1 (0.48) SMN1; SMN2FFAR1
SCHEMBL16319293 0.70 NPC1 (0.39) ELANEKDM4EFFAR1POLQ
SCHEMBL16318838 0.70 PIK3CD (0.36) ELANEKDM4EFFAR1
SCHEMBL22101080 0.70 ELANE (0.56) ELANE
SCHEMBL12221638 0.69 FFAR1 (0.44) SMN1; SMN2FFAR1

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
US-9382188-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-07-05 US disclosed
EP-2816023-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-12-24 EP disclosed