SCHEMBL6503419

SCHEMBL6503419

C=C1NC(=O)C(Cc2cccc(C(OC)C(=O)Nc3ccc(Cl)cc3Cl)c2)S1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
NPSR1 Q6W5P4 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
FFAR1 O14842 3/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
PPARG P37231 2/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37
HTT P42858 2/20 0.37
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL6495933 0.92 ALDH1A1 (0.43) ALDH1A1NPSR1L3MBTL1FFAR1PPARG
SCHEMBL6503416 0.75 POLB (0.46) ALDH1A1NPSR1MAPTKMT2AGAA
SCHEMBL6495930 0.68 MEN1 (0.46) ALDH1A1L3MBTL1MAPTKMT2AGAA
SCHEMBL3914469 0.62 MAPT (0.55) ALDH1A1L3MBTL1NPC1RAB9AMAPT
SCHEMBL14254797 0.60 ALDH1A1 (0.55) ALDH1A1TAS1R3TAS1R1NPC1RAB9A
SCHEMBL6236094 0.60 MEN1 (0.55) ALDH1A1NPSR1L3MBTL1PPARGNPC1
SCHEMBL1247602 0.60 PPARG (0.66) ALDH1A1NPSR1FFAR1PPARGMAPT
SCHEMBL2095754 0.59 MAPT (0.59) ALDH1A1L3MBTL1NPC1RAB9AMAPT
SCHEMBL6930080 0.59 PPARG (0.76) FFAR1PPARG
SCHEMBL6929446 0.59 PPARG (0.76) FFAR1PPARG

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