SCHEMBL9688001

SCHEMBL9688001

CC(C)CS(=O)(=O)Oc1cc[c]cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.49
MMP9 P14780 3/20 0.49
MMP14 P50281 3/20 0.49
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.33
MMP7 P09237 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL8393977 0.81 KMT2A (0.55) MMP2MMP9MMP14KMT2ACA2
SCHEMBL23449 0.80 MMP2 (0.44) MMP2MMP9MMP14KMT2AMMP7
SCHEMBL27865463 0.79 KMT2A (0.53) MMP2MMP9MMP14KMT2ACA2
SCHEMBL28588755 0.78 MMP2 (0.52) MMP2MMP9MMP14KMT2AMAPT
SCHEMBL1008446 0.76 MMP2 (0.48) MMP2MMP9MMP14KMT2AMMP7
SCHEMBL7295678 0.75 CA2 (0.33) CA2CA9
SCHEMBL17718484 0.74 MAPK1 (0.53) MMP2MMP9MMP14KMT2ACA2
SCHEMBL9686680 0.73 ALPL (0.42) MMP2MMP9MMP14MAPTMMP7
SCHEMBL7297750 0.71 ALPL (0.43) MMP2MMP9MMP14MMP7CA2
SCHEMBL23650 0.71 MMP2 (0.40) MMP2MMP9MMP14MMP7CA2

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-5135932-A 2-HYDROXYPROPYLAMINO-ALKYL-BENZIMIDAZOLY-5-YL DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEART DISEASE DR. KARL THOMAE GMBH (DE) 1992-08-04 US disclosed