SCHEMBL8885698

SCHEMBL8885698

CCCCC(NC(=O)C(CC(C)C)NC(=O)c1cc(=O)c2ccccc2o1)C(=O)CSCc1ccco1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.42
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
MAPT P10636 3/20 0.39
THRB P10828 2/20 0.39
POLB P06746 1/20 0.39
CTSK P43235 3/20 0.38
RECQL P46063 1/20 0.38
CSNK2A2 P19784 2/20 0.37
CSNK2B P67870 2/20 0.37
CSNK2A1 P68400 2/20 0.37
CSNK2A3 Q8NEV1 2/20 0.37
PTGS2 P35354 1/20 0.37
LMNA P02545 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 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
SCHEMBL8885687 1.00 CAPN1 (0.42) CAPN1TAS1R3TAS1R1MAPTTHRB
SCHEMBL7434947 0.91 TAS1R3 (0.50) TAS1R3TAS1R1THRBCTSKLMNA
SCHEMBL7312803 0.89 CAPN1 (0.53) CAPN1TAS1R3TAS1R1MAPTTHRB
SCHEMBL7312816 0.89 CAPN1 (0.53) CAPN1TAS1R3TAS1R1MAPTTHRB
SCHEMBL7433580 0.85 MMP3 (0.36) MAPTPOLBPTGS2CTSBMMP3
SCHEMBL7433589 0.85 MMP3 (0.36) MAPTPOLBPTGS2CTSBMMP3
SCHEMBL7303780 0.84 POLB (0.48) MAPTPOLBCTSKCTSBCTSS
SCHEMBL7303804 0.84 POLB (0.48) MAPTPOLBCTSKCTSBCTSS
SCHEMBL7312904 0.82 POLB (0.46) POLBCTSKCTSBCTSSMMP3
SCHEMBL7312916 0.82 POLB (0.46) POLBCTSKCTSBCTSSMMP3

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-5639783-A POTENT PROTEASE INHIBITOR FOR TREATING MUSCULAR, NERVOUS SYSTEM DISEASES MITSUBISHI CHEMICAL CORPORATION (JP) 1997-06-17 US disclosed