SCHEMBL9116494

SCHEMBL9116494

CC(O)C(C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 3/20 0.48
FABP7 O15540 2/20 0.48
KMT2A Q03164 2/20 0.46
CASP3 P42574 2/20 0.44
EPHX2 P34913 1/20 0.43
MDM4 O15151 1/20 0.42
TP53 P04637 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL7389338 0.89 KMT2A (0.49) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL7391410 0.89 KMT2A (0.49) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL7393490 0.89 KMT2A (0.49) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL7119225 0.86 KMT2A (0.49) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL29503798 0.82 FABP5 (0.52) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL28459608 0.82 FABP5 (0.52) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL28215432 0.82 KMT2A (0.48) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL768971 0.82 KMT2A (0.52) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL7128599 0.81 KMT2A (0.47) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL28888234 0.80 KMT2A (0.46) FABP5FABP7KMT2ACASP3EPHX2

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-1995018781-A1 METHODS FOR SYNTHESIZING OLIGOMERS CONTAINING HYDROXY ACID UNITS METABOLIX, INC. (US) 1995-07-13 WO disclosed