SCHEMBL6496485

SCHEMBL6496485

COc1ccc(CC(OC(C)C)C(=O)O)cc1C(C)NC(=O)c1cc(-c2ccccc2)on1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.52
NPSR1 Q6W5P4 1/20 0.52
POLB P06746 2/20 0.52
MME P08473 3/20 0.51
MAPT P10636 2/20 0.49
NPC1 O15118 4/20 0.49
HPGD P15428 4/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
RAB9A P51151 2/20 0.49
STAT3 P40763 1/20 0.48
STAT1 P42224 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 1/20 0.48
THRB P10828 1/20 0.47
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL6495617 0.83 MME (0.50) MMERAB9A
SCHEMBL6505350 0.83 PPARG (0.40) MMERAB9A
SCHEMBL6497349 0.82 OPRK1 (0.40) RAB9A
SCHEMBL6496490 0.82 POLB (0.65) HSD17B10NPSR1POLBMAPTNPC1
SCHEMBL6502018 0.80 PHGDH (0.55)
SCHEMBL6494362 0.80 NPY5R (0.43) MMERAB9A
SCHEMBL6505823 0.79 KMT2A (0.41) RAB9AKMT2A
SCHEMBL6503168 0.79 KMT2A (0.39) RAB9AMEN1KMT2A
SCHEMBL6503228 0.77 ALDH1A1 (0.47) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL6504374 0.76 OPRK1 (0.36) RAB9ASMN1; SMN2

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