SCHEMBL13433239

SCHEMBL13433239

COc1ccc(-c2ccc(Cl)c(C(=O)O)c2)cc1CNC(=O)c1sc(-c2ccc(C)cc2)nc1C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.47
PPARD Q03181 4/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 2/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
NPC1 O15118 2/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
PPARG P37231 2/20 0.42
POLB P06746 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
SCHEMBL3416072 0.95 HPGD (0.51) PPARAPPARDGAAMAPTNPC1
SCHEMBL3419218 0.94 PPARA (0.51) PPARAPPARDGAAKDM4ERAB9A
SCHEMBL3417120 0.91 PPARA (0.49) PPARAPPARDGAAKDM4ERAB9A
SCHEMBL3418419 0.91 PPARA (0.54) PPARAPPARDGAAKDM4ERAB9A
SCHEMBL3418656 0.88 KDM4E (0.58) PPARAPPARDGAAKDM4ERAB9A
SCHEMBL3416639 0.88 XDH (0.47) PPARAPPARDGAAKDM4ERAB9A
SCHEMBL3418681 0.87 PPARA (0.46) PPARAPPARDGAAKDM4ERAB9A
SCHEMBL13460828 0.87 PPARA (0.45) PPARAPPARDGAAKDM4ERAB9A
SCHEMBL6865441 0.86 PPARA (0.45) PPARAPPARDKDM4ERAB9AMAPT
SCHEMBL3416366 0.85 TSHR (0.45) PPARAPPARDGAAKDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 US disclosed