SCHEMBL24967824

SCHEMBL24967824

O=C(O)[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 3/20 0.51
FABP7 O15540 2/20 0.51
TLR2 O60603 4/20 0.42
TLR1 Q15399 4/20 0.42
PPARG P37231 4/20 0.42
PPARA Q07869 3/20 0.42
KMT2A Q03164 2/20 0.41
F10 P00742 2/20 0.39
EPHX2 P34913 1/20 0.39
TACR1 P25103 2/20 0.38
PDE4B Q07343 1/20 0.38

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
SCHEMBL24967216 0.92 FABP5 (0.44) FABP5FABP7TLR2TLR1PPARG
SCHEMBL24967215 0.92 FABP5 (0.44) FABP5FABP7TLR2TLR1PPARG
SCHEMBL24967724 0.92 FABP5 (0.44) FABP5FABP7TLR2TLR1PPARG
SCHEMBL24967716 0.92 FABP5 (0.44) FABP5FABP7TLR2TLR1PPARG
SCHEMBL24967825 0.90 FABP5 (0.43) FABP5FABP7PPARGPPARAKMT2A
SCHEMBL24967722 0.89 PPARG (0.47) FABP5FABP7TLR2TLR1PPARG
SCHEMBL24967723 0.89 FABP5 (0.44) FABP5FABP7TLR2TLR1PPARG
SCHEMBL6375144 0.83 FABP5 (0.53) FABP5FABP7KMT2AF10EPHX2
SCHEMBL119453 0.83 FABP5 (0.52) FABP5FABP7KMT2AF10EPHX2
SCHEMBL4709998 0.80 FABP5 (0.49) FABP5FABP7KMT2AF10EPHX2

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-2022192340-A9 SMALL MOLECULE ALLOSTERIC MODULATORS OF CLASS B GPCR, THE PTHR, AND METHOD TO IDENTIFY THEM UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2023-02-02 WO disclosed