SCHEMBL6496963

SCHEMBL6496963

CC(C)Oc1ccc(C(=O)NCc2cc(CC(OC(C)C)C(=O)O)ccc2-c2ccco2)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
UBE2I P63279 2/20 0.38
CACNA1B Q00975 2/20 0.38
APBA1 Q02410 2/20 0.38
SAE1 Q9UBE0 2/20 0.38
UBA2 Q9UBT2 2/20 0.38
PTGDR Q13258 2/20 0.37
EPHX2 P34913 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 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
SCHEMBL6496468 0.92 MAPT (0.38) TP53HPGDSMN1; SMN2UBE2ICACNA1B
SCHEMBL6502543 0.92 LMNA (0.38) TP53HPGDSMN1; SMN2UBE2ICACNA1B
SCHEMBL6505538 0.90 S1PR3 (0.38) UBE2ICACNA1BAPBA1SAE1UBA2
SCHEMBL6502348 0.85 EPHX2 (0.36) TP53EPHX2NR1H4ALDH1A1MAPT
SCHEMBL7685465 0.84 EPHX2 (0.36) TP53HPGDSMN1; SMN2EPHX2NR1H4
SCHEMBL6505285 0.84 PPARA (0.43) EPHX2NR1H4PPARAPPARGPPARD
SCHEMBL6494327 0.84 EPHX2 (0.37) TP53HPGDEPHX2NR1H4ALDH1A1
SCHEMBL6502157 0.83 NR1H4 (0.37) TP53HPGDSMN1; SMN2EPHX2NR1H4
SCHEMBL6504440 0.82 EPHX2 (0.36) EPHX2NR1H4ALDH1A1PPARAPPARG
SCHEMBL6503712 0.82 PPARA (0.50) 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-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