SCHEMBL5032938

SCHEMBL5032938

Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCc1cccc(CC2(C(=O)O)C=CCO2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.49
PPARD Q03181 1/20 0.49
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
CHRM4 P08173 1/20 0.47
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.43
ROCK2 O75116 1/20 0.43
SCD O00767 3/20 0.43
CCR1 P32246 1/20 0.42

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
SCHEMBL5034526 0.86 PPARA (0.47) PPARAPPARDGAASMN1; SMN2CHRM4
SCHEMBL5032982 0.82 PPARA (0.49) PPARAPPARDGAASMN1; SMN2CHRM4
SCHEMBL5032867 0.79 PPARA (0.44) PPARAPPARDGAALMNAMAPT
SCHEMBL5037057 0.78 PPARA (0.39) PPARAPPARDLMNAMAPTKDM4E
SCHEMBL5031870 0.77 LMNA (0.43) GAASMN1; SMN2LMNARAB9ANPC1
SCHEMBL5037102 0.76 CYP1A2 (0.45) PPARASMN1; SMN2LMNAMAPTNPC1
SCHEMBL5037183 0.75 NPC1 (0.45) PPARAPPARDGAASMN1; SMN2MAPT
SCHEMBL5030063 0.75 CHRM3 (0.42) RAB9ANPC1POLBHPGD
SCHEMBL13541886 0.74 MAOB (0.58) PPARAPPARDGAASMN1; SMN2CHRM4
SCHEMBL5034446 0.73 SCD (0.41) PPARAPPARDCHRM4LMNAMAPT

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