SCHEMBL3723396

SCHEMBL3723396

N#Cc1cccc(COCC(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.59
FFAR4 Q5NUL3 1/20 0.59
MAOB P27338 2/20 0.52
LMNA P02545 1/20 0.47
MRGPRX4 Q96LA9 3/20 0.46
PTGDR2 Q9Y5Y4 2/20 0.46
VNN1 O95497 1/20 0.46
FOLH1 Q04609 1/20 0.46
MEP1A Q16819 1/20 0.46
MEP1B Q16820 1/20 0.46
ALKBH1 Q13686 1/20 0.46
KCNH2 Q12809 1/20 0.46
MAOA P21397 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CCR2 P41597 1/20 0.44

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
SCHEMBL2772477 0.85 FFAR1 (0.53) FFAR1FFAR4MAOBLMNAPTGDR2
SCHEMBL6668868 0.83 MRGPRX4 (0.55) FFAR1FFAR4MAOBMRGPRX4MEP1A
SCHEMBL21885801 0.82 FFAR1 (0.61) FFAR1FFAR4MAOBLMNAMRGPRX4
SCHEMBL31568453 0.82 TSHR (0.56) FFAR1FFAR4MAOBLMNAMRGPRX4
SCHEMBL22469683 0.82 TSHR (0.56) FFAR1FFAR4MAOBLMNAMRGPRX4
SCHEMBL3722688 0.80 HTT (0.51) FFAR4MAOBPTGDR2SMN1; SMN2
SCHEMBL20551473 0.80 MRGPRX4 (0.53) FFAR1FFAR4MAOBMRGPRX4KCNH2
SCHEMBL5038094 0.78 CTBP2 (0.47) FFAR1
SCHEMBL335418 0.78 LMNA (0.56) FFAR1FFAR4LMNAVNN1FOLH1
SCHEMBL2774422 0.78 FFAR1 (0.48) FFAR1FFAR4MAOBMRGPRX4VNN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414341-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-09-13 EP disclosed
US-8815919-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-26 US disclosed
WO-2010115751-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-14 WO disclosed