SCHEMBL5332792

SCHEMBL5332792

O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1S(=O)(=O)c1ccc(CO)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.53
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
ITGB1 P05556 7/20 0.47
ITGA4 P13612 7/20 0.47
ITGB7 P26010 1/20 0.47
FKBP1A P62942 3/20 0.47

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
SCHEMBL14529947 1.00 HSD11B1 (0.53) HSD11B1MMP2MMP9ITGB1ITGA4
SCHEMBL5314816 0.88 HSD11B1 (0.53) HSD11B1ITGB1ITGA4ITGB7FKBP1A
SCHEMBL12640491 0.87 HCRTR1 (0.57) HSD11B1ITGB1ITGA4ITGB7
SCHEMBL14529605 0.86 ITGB1 (0.53) HSD11B1MMP2MMP9ITGB1ITGA4
SCHEMBL14529964 0.84 HSD11B1 (0.65) HSD11B1MMP2MMP9ITGB1ITGA4
SCHEMBL14529616 0.84 HSD11B1 (0.65) HSD11B1MMP2MMP9ITGB1ITGA4
SCHEMBL5345936 0.83 TSHR (0.62) HSD11B1ITGB1ITGA4ITGB7
SCHEMBL5345940 0.83 TSHR (0.62) HSD11B1ITGB1ITGA4ITGB7
SCHEMBL5452294 0.81 GAA (0.48) HSD11B1ITGB1ITGA4ITGB7
SCHEMBL5315701 0.77 HSD11B1 (0.49) HSD11B1ITGB1ITGA4ITGB7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007057768-A2 SULFONYL DERIVATIVES PFIZER PRODUCTS INC. (US) 2007-05-24 WO disclosed
WO-2007057768-A2 SULFONYL DERIVATIVES PFIZER PRODUCTS INC. (US) 2007-05-24 WO disclosed