SCHEMBL9687406

SCHEMBL9687406

CCC(C)(C)S(=O)(=O)Oc1cc[c]cc1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CA1 P00915 1/20 0.34
STS P08842 1/20 0.32

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
SCHEMBL8397511 0.81 CA1 (0.47) CA2CA9CA1
SCHEMBL23449 0.76 MMP2 (0.44) CA2CA9CA1STS
SCHEMBL3192131 0.73 ALDH1A1 (0.38)
SCHEMBL18744789 0.73 SMN1; SMN2 (0.39) CA2CA9CA1STS
SCHEMBL499083 0.72 CXCR2 (0.41) CA2CA9CA1
SCHEMBL1008446 0.72 MMP2 (0.48) CA2STS
SCHEMBL18361466 0.71 CA1 (0.40) CA2CA9CA1STS
SCHEMBL18361467 0.71 MMP14 (0.45) CA2CA9CA1
SCHEMBL23650 0.71 MMP2 (0.40) CA2CA9CA1
SCHEMBL19204140 0.70 STS (0.45) CA2CA9CA1STS

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