SCHEMBL289035

SCHEMBL289035

C[C@@H](C(=O)O)N(C=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 3/20 0.40
FABP7 O15540 2/20 0.40
CASP3 P42574 3/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL27527132 0.81 CASP3 (0.38) FABP5FABP7CASP3CA1CA2
SCHEMBL27042592 0.80 CASP3 (0.35) FABP5FABP7CASP3CA1CA2
SCHEMBL7438474 0.78 TLR2 (0.36) FABP5FABP7CASP3KMT2APPARG
SCHEMBL4740141 0.77 KMT2A (0.38) FABP5FABP7CASP3CA1CA2
SCHEMBL5141642 0.77 CASP3 (0.34) FABP5FABP7CASP3CA1CA2
SCHEMBL12466708 0.77 KMT2A (0.49) FABP5FABP7CASP3KMT2ACYP1A2
SCHEMBL1556697 0.77 OPRM1 (0.38) CASP3KMT2A
SCHEMBL29913804 0.76 FABP5 (0.47) FABP5FABP7CASP3CA1CA2
SCHEMBL4432786 0.75 BACE1 (0.38) FABP5FABP7CASP3CA1CA2
SCHEMBL1557276 0.75 PPARG (0.41) CASP3KMT2APPARGPPARA

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
EP-2427451-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BioLab Corporation (JP) 2012-03-14 EP disclosed
WO-2010128685-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BIOLAB CORPORATION (JP) 2010-11-11 WO disclosed