SCHEMBL6502993

SCHEMBL6502993

CCC(=Cc1ccc(OC)c(CC(=O)Nc2ccc(Cl)cc2Cl)c1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 1/20 0.47
LPAR1 Q92633 2/20 0.45
NPC1 O15118 3/20 0.44
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
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
USP2 O75604 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
SCHEMBL6502991 1.00 GAA (0.50) GAAKDM4EMEN1KMT2ALMNA
SCHEMBL6495363 0.90 MAPT (0.48) GAAKDM4EMEN1KMT2ALMNA
SCHEMBL6495358 0.90 MAPT (0.48) GAAKDM4EMEN1KMT2ALMNA
SCHEMBL6496834 0.84 GAA (0.54) GAAKDM4EMEN1KMT2ALMNA
SCHEMBL6505410 0.74 PPARA (0.62) GAAKDM4E
SCHEMBL3416850 0.72 PSEN1 (0.48) MEN1KMT2ALMNAPSEN1PSEN2
SCHEMBL3416847 0.72 PSEN1 (0.48) MEN1KMT2ALMNAPSEN1PSEN2
SCHEMBL6504914 0.72 PPARA (0.52) GAAKDM4EMEN1KMT2ALMNA
SCHEMBL8588648 0.72 GAA (0.58) GAAKDM4EMEN1KMT2APSEN1
SCHEMBL21197986 0.70 MEN1 (0.61) GAAKDM4EMEN1KMT2ALMNA

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-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed