SCHEMBL8564824

SCHEMBL8564824

CC(C)C[C@@H](C(=O)OCc1ccccc1)N(C)S(=O)(=O)c1ccc(CBr)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.45
ADAMTS5 Q9UNA0 2/20 0.44
MMP2 P08253 3/20 0.43
MMP14 P50281 3/20 0.43
ADAMTS4 O75173 2/20 0.43
MMP13 P45452 1/20 0.43
CA5A P35218 1/20 0.41
CTSB P07858 3/20 0.40
CTSK P43235 4/20 0.40
CTSL P07711 2/20 0.40
CTSS P25774 2/20 0.40
MMP3 P08254 2/20 0.39
MMP9 P14780 2/20 0.39
MMP1 P03956 1/20 0.39
MMP7 P09237 1/20 0.39
PLAU P00749 1/20 0.39
POLB P06746 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
CNR2 P34972 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
SCHEMBL8131433 0.86 PTAFR (0.57) PTAFRADAMTS5MMP13MMP9MMP1
SCHEMBL8581562 0.84 PTAFR (0.48) PTAFRADAMTS5ADAMTS4MMP13MMP3
SCHEMBL8561448 0.82 PTAFR (0.45) PTAFRADAMTS5ADAMTS4MMP13MMP3
SCHEMBL8584285 0.81 PTAFR (0.42) PTAFRADAMTS5MMP2MMP14ADAMTS4
SCHEMBL9595768 0.78 PTAFR (0.53) PTAFRADAMTS5ADAMTS4MMP1PLAU
SCHEMBL9594827 0.77 ATM (0.48) PTAFRADAMTS5ADAMTS4MMP1PLAU
SCHEMBL8565372 0.76 PTAFR (0.41) PTAFRADAMTS5MMP2MMP14ADAMTS4
SCHEMBL8123940 0.75 PTAFR (0.83) PTAFR
SCHEMBL8123937 0.75 PTAFR (0.42) PTAFRADAMTS5MMP2MMP14ADAMTS4
SCHEMBL8135677 0.75 PTAFR (0.44) PTAFRADAMTS5MMP2MMP14ADAMTS4

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
EP-0605434-B1 IMIDAZO (4,5-C) PYRIDINE DERIVATIVES AS PAF ANTAGONISTS BRITISH BIOTECH PHARM (GB) 1998-08-19 EP disclosed
US-5446032-A Platelet activsating factor antagonist BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-08-29 US disclosed
EP-0605434-A1 IMIDAZO (4,5-C) PYRIDINE DERIVATIVES AS PAF ANTAGONISTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1994-07-13 EP disclosed
WO-1993002080-A1 IMIDAZO (4,5-C) PYRIDINE DERIVATIVES AS PAF ANTAGONISTS BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-02-04 WO disclosed