SCHEMBL8250720

SCHEMBL8250720

O=C(NC(Cc1ccc2c(c1)Cc1ccccc1-2)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.49
MDM4 O15151 3/20 0.49
TP53 P04637 3/20 0.49
MME P08473 1/20 0.49
ACE P12821 1/20 0.49
MDM2 Q00987 1/20 0.47
TLR2 O60603 2/20 0.46
CASP3 P42574 2/20 0.45
SLC17A5 Q9NRA2 1/20 0.44

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
SCHEMBL8241721 0.92 MDM4 (0.49) PTPN1MDM4TP53MDM2CASP3
SCHEMBL2220884 0.90 KMT2A (0.45) PTPN1MDM4TP53MMEACE
SCHEMBL25356989 0.89 MDM4 (0.50) PTPN1MDM4TP53MDM2CASP3
SCHEMBL25356983 0.89 MDM4 (0.50) PTPN1MDM4TP53MDM2CASP3
SCHEMBL9170986 0.85 MDM4 (0.56) PTPN1MDM4TP53MDM2CASP3
SCHEMBL1712911 0.84 ACE (0.53) MMEACE
SCHEMBL1712913 0.84 ACE (0.53) MMEACE
SCHEMBL119455 0.84 MDM4 (0.59) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL1228254 0.84 MDM4 (0.59) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL118169 0.84 MDM4 (0.59) MDM4TP53MDM2CASP3SLC17A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007017892-A2 NOVEL COMPOUNDS AS GLP-I AGONISTS CADILA HEALTHCARE LIMITED (IN) 2007-02-15 WO disclosed