SCHEMBL8487453

SCHEMBL8487453

O=C(O)CNS(=O)(=O)CCc1ccc(Cl)cc1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 7/20 0.70
MMP12 P39900 7/20 0.70
MMP13 P45452 7/20 0.70
MMP1 P03956 2/20 0.55
MMP7 P09237 2/20 0.55
TBXA2R P21731 1/20 0.50
PTGES2 Q9H7Z7 5/20 0.46
FFAR1 O14842 1/20 0.44
CASP1 P29466 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.43
AKR1C3 P42330 1/20 0.43

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
SCHEMBL4170793 0.85 MMP12 (0.82) MMP8MMP12MMP13MMP1MMP7
SCHEMBL11102786 0.82 TBXA2R (0.71) MMP8MMP12MMP13MMP1MMP7
SCHEMBL4174812 0.80 MMP8 (0.75) MMP8MMP12MMP13MMP1MMP7
SCHEMBL11339358 0.80 TBXA2R (0.60) MMP8MMP12MMP13TBXA2RHTT
SCHEMBL10463307 0.77 TBXA2R (0.50) MMP8MMP12MMP13TBXA2RMEN1
SCHEMBL5321195 0.74 TAAR1 (0.52) PTGES2MEN1KMT2A
SCHEMBL11105420 0.74 MAPT (0.53) MMP8MMP12MMP13MMP1MMP7
SCHEMBL11105430 0.74 MAPT (0.53) MMP8MMP12MMP13MMP1MMP7
SCHEMBL27804764 0.73 TAAR1 (0.48) PTGES2MEN1KMT2A
SCHEMBL8780612 0.73 LMNA (0.55) TBXA2RFFAR1

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
WO-1999005141-A1 HISTAMINE H3 RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 1999-02-04 WO disclosed