SCHEMBL5032867

SCHEMBL5032867

COc1ccc(CC2(C(=O)O)C=CCO2)cc1CNC(=O)c1sc(-c2ccc(C)cc2)nc1C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.44
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
PPARD Q03181 5/20 0.40
PPARG P37231 3/20 0.40
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
TSHR P16473 1/20 0.37
S1PR1 P21453 1/20 0.37
SCD O00767 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
SCHEMBL5034526 0.94 PPARA (0.47) PPARALMNAMAPTPPARDPPARG
SCHEMBL5037102 0.90 CYP1A2 (0.45) PPARALMNAMAPTNPC1HPGD
SCHEMBL5037057 0.87 PPARA (0.39) PPARALMNAMAPTPPARDPPARG
SCHEMBL5031956 0.86 PPARA (0.49) PPARALMNAMAPTPPARDPPARG
SCHEMBL5031926 0.83 PPARA (0.44) PPARALMNAMAPTPPARDPPARG
SCHEMBL5032938 0.79 PPARA (0.49) PPARALMNAMAPTPPARDNPC1
SCHEMBL3418656 0.79 KDM4E (0.58) PPARALMNAMAPTPPARDPPARG
SCHEMBL5034523 0.78 HPGD (0.46) PPARAMAPTPPARGNPC1HPGD
SCHEMBL3419218 0.77 PPARA (0.51) PPARALMNAMAPTPPARDPPARG
SCHEMBL5034527 0.77 PPARA (0.47) PPARALMNAMAPTPPARDPPARG

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