SCHEMBL6496468

SCHEMBL6496468

CC(C)OC(Cc1ccc(-c2ccco2)c(CNC(=O)c2ccc(Cl)cc2Cl)c1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
P2RX7 Q99572 1/20 0.38
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.38
LMNA P02545 2/20 0.37
NLRP1 Q9C000 1/20 0.37
TMEM97 Q5BJF2 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 2/20 0.37
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL6496963 0.92 TP53 (0.39) MAPTALDH1A1MEN1KMT2APPARA
SCHEMBL6502543 0.88 LMNA (0.38) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL6505538 0.87 S1PR3 (0.38) ALDH1A1PPARAPPARGPPARDCACNA1B
SCHEMBL6506028 0.85 LMNA (0.37) ALDH1A1MAPK1KMT2AP2RX7PPARA
SCHEMBL6496412 0.83 PPARA (0.44) ALDH1A1MAPK1MEN1KMT2APPARA
SCHEMBL6494389 0.83 PTGER4 (0.41) MAPK1PPARAPPARGLMNANLRP1
SCHEMBL6505922 0.83 CTSL (0.37) ALDH1A1MAPK1HTTP2RX7PPARA
SCHEMBL6498341 0.82 LMNA (0.38) MAPTALDH1A1MAPK1HTTP2RX7
SCHEMBL6502406 0.82 HPGD (0.39) ALDH1A1MAPK1HTTP2RX7PPARA
SCHEMBL6495506 0.82 PPARA (0.38) ALDH1A1MAPK1HTTP2RX7PPARA

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