SCHEMBL4348232

SCHEMBL4348232

Cc1cccc(COC(=O)NCc2cccc([C@H](CC(=O)O)OC(C)C)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 3/20 0.36
FFAR1 O14842 1/20 0.36
EPHX1 P07099 2/20 0.36
PTGES O14684 1/20 0.36
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
CASP3 P42574 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4329711 0.86 CYSLTR1 (0.49)
SCHEMBL4339537 0.84 HDAC1 (0.40) FFAR1EPHX1TNKSTNKS2
SCHEMBL4334154 0.82 LMNA (0.44) CASP1FFAR1MEN1KMT2A
SCHEMBL4348234 0.82 PPARG (0.40) EPHX1PTGESTNKSTNKS2MEN1
SCHEMBL4348238 0.82 PPARG (0.40) EPHX1PTGESTNKSTNKS2MEN1
SCHEMBL4342514 0.81 ALDH1A1 (0.42) FFAR1CASP3
SCHEMBL4334667 0.80 NPC1 (0.49) CASP1FFAR1KMT2A
SCHEMBL4337917 0.80 NR3C2 (0.45)
SCHEMBL4328963 0.80 PTGDR2 (0.47) FFAR1
SCHEMBL4332643 0.79 CASP1 (0.42) CASP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100522944-C Carboxylic acid derivatives and salts thereof EISAI CO LTD (JP) 2009-08-05 CN disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
CN-1503774-A Carboxylic acid derivatives and salts thereof ������������ʽ���� 2004-06-09 CN disclosed