SCHEMBL7401413

SCHEMBL7401413

O=C(NC1(C(=O)O)CCCCCC1)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
EPHX2 P34913 1/20 0.50
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
FABP7 O15540 2/20 0.43
FABP5 Q01469 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CTSL P07711 4/20 0.43
CTSS P25774 4/20 0.43
CTSB P07858 2/20 0.43
CASP3 P42574 2/20 0.43
CTSK P43235 3/20 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
SCHEMBL30594467 1.00 KMT2A (0.50) KMT2AEPHX2DPP8DPP9FABP7
SCHEMBL29624561 1.00 KMT2A (0.50) KMT2AEPHX2DPP8DPP9FABP7
SCHEMBL29624551 1.00 KMT2A (0.50) KMT2AEPHX2DPP8DPP9FABP7
SCHEMBL178786 1.00 KMT2A (0.50) KMT2AEPHX2DPP8DPP9FABP7
SCHEMBL30594472 0.99 KMT2A (0.51) KMT2AEPHX2DPP8DPP9FABP7
SCHEMBL29624557 0.99 KMT2A (0.51) KMT2AEPHX2DPP8DPP9FABP7
SCHEMBL178775 0.99 KMT2A (0.51) KMT2AEPHX2DPP8DPP9FABP7
SCHEMBL178778 0.96 KMT2A (0.51) KMT2AEPHX2DPP8DPP9FABP7
SCHEMBL29624572 0.96 KMT2A (0.51) KMT2AEPHX2DPP8DPP9FABP7
SCHEMBL30752687 0.96 KMT2A (0.51) KMT2AEPHX2DPP8DPP9FABP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112300247-B Teixobactin analogue and application thereof 广东东阳光药业有限公司 2022-12-27 CN disclosed
CN-112300247-A Teixobactin analogue and application thereof 广东东阳光药业有限公司 2021-02-02 CN disclosed
EP-0846127-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY Novartis AG (CH) 1998-06-10 EP disclosed
WO-1997008193-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY NOVARTIS AG (CH) 1997-03-06 WO disclosed