SCHEMBL7438474

SCHEMBL7438474

CCCCC(C(O)C(=O)O)N(C=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 3/20 0.36
PPARG P37231 2/20 0.35
PPARA Q07869 1/20 0.35
KMT2A Q03164 1/20 0.34
CASP3 P42574 1/20 0.34
FABP5 Q01469 2/20 0.34
FABP7 O15540 1/20 0.34
CTSK P43235 6/20 0.34
CTSL P07711 3/20 0.34
CTSB P07858 3/20 0.34
CTSH P09668 2/20 0.34
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32

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
SCHEMBL7433217 0.88 MDM2 (0.34) TLR2KMT2ACASP3CTSK
SCHEMBL27527132 0.86 CASP3 (0.38) TLR2PPARGPPARAKMT2ACASP3
SCHEMBL289035 0.78 FABP5 (0.40) PPARGPPARAKMT2ACASP3FABP5
SCHEMBL4740141 0.74 KMT2A (0.38) TLR2KMT2ACASP3FABP5FABP7
SCHEMBL12466708 0.73 KMT2A (0.49) TLR2KMT2ACASP3FABP5FABP7
SCHEMBL2401697 0.72 KMT2A (0.46) TLR2KMT2ACASP3FABP5FABP7
SCHEMBL27042592 0.72 CASP3 (0.35) PPARGPPARAKMT2ACASP3FABP5
SCHEMBL7438477 0.72 TLR2 (0.51) TLR2KMT2ACASP3
SCHEMBL25301402 0.71 TLR2 (0.40) TLR2PPARGPPARAKMT2ACASP3
SCHEMBL1556697 0.71 OPRM1 (0.38) KMT2ACASP3

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
US-6187905-B1 PEPTIDE COMPOUND WHICH INHIBITS VIRAL PROTEINASES; VIRICIDES FOR HEPATITIS C, HEPATITIS G, AND HUMAN GB VIRUSES HOFFMANN-LA ROCHE INC. 2001-02-13 US disclosed