SCHEMBL13433353

SCHEMBL13433353

CC/C(=C\c1cccc(-c2ccc(OC)c(CNC(=O)c3sc(-c4ccc(C)cc4)nc3C)c2)c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
NPC1 O15118 1/20 0.46
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PPARA Q07869 5/20 0.44
PPARG P37231 2/20 0.42
PPARD Q03181 2/20 0.42
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
EGFR P00533 1/20 0.41
MET P08581 1/20 0.41
EPHX2 P34913 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL3415667 0.89 PSEN1 (0.44) HPGDPSEN1PSEN2APH1BNCSTN
SCHEMBL3415665 0.89 PSEN1 (0.44) HPGDPSEN1PSEN2APH1BNCSTN
SCHEMBL3414043 0.87 AKR1C3 (0.47) HPGDNPC1SMN1; SMN2PPARAPPARG
SCHEMBL3414040 0.87 AKR1C3 (0.47) HPGDNPC1SMN1; SMN2PPARAPPARG
SCHEMBL3415767 0.84 PPARA (0.60) HPGDNPC1SMN1; SMN2PPARAPPARG
SCHEMBL13433357 0.84 HPGD (0.47) HPGDNPC1SMN1; SMN2PPARAPPARG
SCHEMBL13433438 0.83 HPGD (0.48) HPGDNPC1SMN1; SMN2PPARAPPARG
SCHEMBL3419218 0.82 PPARA (0.51) HPGDNPC1SMN1; SMN2PPARAPPARG
SCHEMBL3418656 0.82 KDM4E (0.58) HPGDNPC1SMN1; SMN2PPARAPPARG
SCHEMBL13433361 0.81 PPARA (0.59) PPARAPPARGPPARD

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