SCHEMBL6503004

SCHEMBL6503004

CC(C)c1ccc(C(=O)NCc2ccccc2F)cc1CC1SC(=O)NC1=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.46
NPC1 O15118 1/20 0.44
ROCK2 O75116 5/20 0.44
ROCK1 Q13464 2/20 0.44
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
EPHX2 P34913 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.41
NAMPT P43490 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL6503843 0.76 MAPT (0.48) HPGDROCK2ROCK1GAAMAPT
SCHEMBL6495876 0.75 HPGD (0.44) HPGDGAAMAPTTP53EPHX2
SCHEMBL6502341 0.74 EPHX2 (0.44) HPGDMAPTTP53EPHX2LMNA
SCHEMBL6494246 0.74 LMNA (0.44) HPGDROCK2ROCK1MAPTTP53
SCHEMBL6504802 0.73 HTT (0.55) HPGDROCK2ROCK1GAAMAPT
SCHEMBL6506747 0.73 CA2 (0.48) HPGDNPC1ROCK2ROCK1MAPT
SCHEMBL6503028 0.73 PDE10A (0.47) HPGDNPC1ROCK2ROCK1GAA
SCHEMBL6496500 0.72 HPGD (0.53) HPGDROCK2ROCK1GAAMAPT
SCHEMBL6501926 0.72 KMT2A (0.45) HPGDROCK2ROCK1MAPTRAB9A
SCHEMBL6503133 0.72 LMNA (0.56) HPGDROCK2ROCK1MAPTLMNA

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