SCHEMBL8580916

SCHEMBL8580916

CC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1ccc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.51
GABRB1 P18505 1/20 0.48
GABRB2 P47870 1/20 0.48
CTSS P25774 2/20 0.46
CTSK P43235 2/20 0.46
CTSB P07858 1/20 0.46
METAP2 P50579 1/20 0.43
METAP1 P53582 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PDE2A O00408 1/20 0.42
CA2 P00918 1/20 0.42
HCRTR1 O43613 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TRPA1 O75762 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
SCHEMBL8037585 1.00 MMP9 (0.51) MMP9GABRB1GABRB2CTSSCTSK
SCHEMBL13715427 0.89 MMP9 (0.59) MMP9GABRB1GABRB2CTSSCTSK
SCHEMBL6917355 0.85 MMP9 (0.53) MMP9METAP2METAP1MEN1KMT2A
SCHEMBL5076750 0.85 MMP9 (0.53) MMP9METAP2METAP1MEN1KMT2A
SCHEMBL8576836 0.85 MMP9 (0.53) MMP9METAP2METAP1MEN1KMT2A
SCHEMBL8385834 0.85 CTSK (0.54) CTSSCTSKMEN1KMT2ACA2
SCHEMBL851252 0.83 GABRB1 (0.52) MMP9GABRB1GABRB2CTSSCTSK
SCHEMBL6832916 0.83 GABRB1 (0.52) MMP9GABRB1GABRB2CTSSCTSK
SCHEMBL11060442 0.82 CTSK (0.53) MMP9GABRB1GABRB2CTSSCTSK
SCHEMBL8682582 0.81 CTSK (0.49) CTSSCTSKMEN1KMT2ACA2

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
US-5847194-A Carbamoylcarboxamides BASF AKTIENGESELLSCHAFT (DE) 1998-12-08 US disclosed
EP-0778824-B1 CARBAMOYL CARBOXYLIC ACID AMIDES BASF AG (DE) 1998-11-04 EP disclosed