SCHEMBL9707050

SCHEMBL9707050

COc1cc(C(C)(C)C)c(N(C(=O)OS(N)(=O)=O)c2c(C(C)C)cccc2C(C)C)c(C(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.35
STS P08842 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL9707030 0.89
SCHEMBL9333721 0.71 LPAR1 (0.46) LPAR1
SCHEMBL7085235 0.71 LPAR1 (0.41) LPAR1
SCHEMBL9497642 0.69 CA1 (0.40) CA1CA2CA12CA9
SCHEMBL7110163 0.69
SCHEMBL9450955 0.67 NLRP3 (0.49)
SCHEMBL7087009 0.63 TACR1 (0.38)
SCHEMBL7104637 0.63 FAAH (0.36) CA1CA2
SCHEMBL7080982 0.62 POLB (0.36)
SCHEMBL7163439 0.61 NLRP3 (0.36)

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-1992008692-A1 OXYSULFONYL UREA ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1992-05-29 WO disclosed