SCHEMBL5032900

SCHEMBL5032900

COc1ccc(CC2(C(=O)O)C=CCO2)cc1CNC(=O)COc1ccc(Cl)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 3/20 0.49
ANO2 Q9NQ90 1/20 0.49
HPGD P15428 4/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 6/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
MAPK1 P28482 1/20 0.46
ADRB2 P07550 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 1/20 0.43
XBP1 P17861 1/20 0.42
ADAMTS5 Q9UNA0 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL5031908 0.86 PPARA (0.41) HPGDLMNAADRB2TP53MEN1
SCHEMBL5032777 0.82 ANO1 (0.49) ANO1ANO2HPGDRAB9ASMN1; SMN2
SCHEMBL5034466 0.79 HTT (0.43) HPGDLMNAALDH1A1KMT2A
SCHEMBL5037057 0.78 PPARA (0.39) HPGDLMNAALDH1A1KDM4ETP53
SCHEMBL5032820 0.78 PPARA (0.40) HPGDALDH1A1
SCHEMBL5029970 0.77 PPARA (0.44) HPGDSMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL5034465 0.77 PPARA (0.48) RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5031737 0.77 PPARA (0.41)
SCHEMBL5032738 0.76 PPARA (0.40) HPGDLMNAALDH1A1
SCHEMBL5034526 0.76 PPARA (0.47) RAB9ASMN1; SMN2LMNAKDM4ETP53

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
US-7371777-B2 Cyclic compound and PPAR agonist EISAI CO., LTD. (JP) 2008-05-13 US disclosed
US-7371777-B2 Cyclic compound and PPAR agonist EISAI CO., LTD. (JP) 2008-05-13 US disclosed
US-7371777-B2 Cyclic compound and PPAR agonist EISAI CO., LTD. (JP) 2008-05-13 US disclosed