SCHEMBL13433459

SCHEMBL13433459

COc1ccc(-c2cccc(C(=O)O)c2)c(CNC(=O)c2sc(-c3ccccc3)nc2C)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.53
NPC1 O15118 1/20 0.53
PPARA Q07869 7/20 0.51
PPARD Q03181 4/20 0.50
PPARG P37231 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
MAPT P10636 4/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
SCD O00767 2/20 0.46

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
SCHEMBL3417421 0.97 PPARA (0.54) HPGDNPC1PPARAPPARDPPARG
SCHEMBL3415741 0.96 PPARA (0.51) HPGDNPC1PPARAPPARDPPARG
SCHEMBL3419117 0.94 PPARA (0.54) HPGDNPC1PPARAPPARDPPARG
SCHEMBL3416671 0.88 RAB9A (0.48) NPC1PPARAPPARDPPARGSMN1; SMN2
SCHEMBL3413127 0.84 PPARA (0.56) HPGDNPC1PPARAPPARDPPARG
SCHEMBL3413821 0.83 PPARA (0.53) HPGDNPC1PPARAPPARDSMN1; SMN2
SCHEMBL3416911 0.82 PPARA (0.51) HPGDNPC1PPARAPPARDPPARG
SCHEMBL3415767 0.81 PPARA (0.60) HPGDNPC1PPARAPPARDPPARG
SCHEMBL3418668 0.81 PPARA (0.55) NPC1PPARAPPARDPPARGSMN1; SMN2
SCHEMBL3413992 0.80 PPARA (0.54) NPC1PPARAPPARDPPARGSMN1; SMN2

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 2 patents. 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
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