SCHEMBL326983

SCHEMBL326983

CCCCCOCC(=O)Nc1[c]cccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.41
TSHR P16473 3/20 0.40
RECQL P46063 1/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 2/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 1/20 0.39
KDM4E B2RXH2 3/20 0.38
POLB P06746 1/20 0.38
CYP1A2 P05177 1/20 0.37
FAAH O00519 6/20 0.37
PLA2G4B P0C869 2/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL6342396 0.84 KDM4E (0.52) TSHRALDH1A1MAPK1HPGDLMNA
SCHEMBL6201463 0.81 NPC1 (0.51) ALDH1A1LMNAPOLBNPC1RAB9A
SCHEMBL2138775 0.80 CETP (0.54) LMNAPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL3221873 0.80 CETP (0.54) LMNAPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL3389145 0.80 CETP (0.54) LMNAPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL10896302 0.80 CETP (0.54) LMNAPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL1779857 0.80 CETP (0.54) LMNAPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL55564 0.80 CETP (0.54) LMNAPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL5694380 0.80 CETP (0.51) TSHRALDH1A1LMNAKDM4EPOLB
SCHEMBL8654103 0.79 ALDH1A1 (0.58) ALDH1A1MAPK1HPGDKDM4ECYP1A2

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-2590931-A1 (2-ARYLOXY-ACETYLAMINO)-PHENYL-PROPIONIC ACID DERIVATIVES, METHOD FOR PRODUCING SAME AND USE THEREOF AS PHARMACEUTICALS SANOFI (FR) 2013-05-15 EP disclosed
EP-2590931-A1 (2-ARYLOXY-ACETYLAMINO)-PHENYL-PROPIONIC ACID DERIVATIVES, METHOD FOR PRODUCING SAME AND USE THEREOF AS PHARMACEUTICALS SANOFI (FR) 2013-05-15 EP disclosed
WO-2012004269-A1 (2-ARYLOXY-ACETYLAMINO)-PHENYL-PROPIONIC ACID DERIVATIVES, METHOD FOR PRODUCING SAME AND USE THEREOF AS PHARMACEUTICALS SANOFI (FR) 2012-01-12 WO disclosed
WO-2012004269-A1 (2-ARYLOXY-ACETYLAMINO)-PHENYL-PROPIONIC ACID DERIVATIVES, METHOD FOR PRODUCING SAME AND USE THEREOF AS PHARMACEUTICALS SANOFI (FR) 2012-01-12 WO disclosed