SCHEMBL7681841

SCHEMBL7681841

CC(C)(C)OC(=O)N1CCC(CCS(=O)(=O)c2ccc(Oc3ccccc3)cc2)(C(=O)NO)CC1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 14/20 0.59
ADAM17 P78536 9/20 0.59
MMP2 P08253 9/20 0.56
MMP14 P50281 4/20 0.56
MMP1 P03956 7/20 0.55
MMP9 P14780 3/20 0.53
MMP3 P08254 1/20 0.53
GPR119 Q8TDV5 1/20 0.44

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
SCHEMBL6788797 0.91 MMP13 (0.71) MMP13ADAM17MMP2MMP14MMP1
SCHEMBL5919696 0.82 MMP13 (0.69) MMP13ADAM17MMP2MMP14MMP1
SCHEMBL7681442 0.79 MMP1 (0.55) MMP13ADAM17MMP2MMP14MMP1
SCHEMBL6784917 0.79 MMP13 (0.54) MMP13ADAM17MMP2MMP14MMP1
SCHEMBL6791077 0.76 ADAM17 (0.68) MMP13ADAM17MMP2MMP14MMP1
SCHEMBL3946150 0.75 ADAM17 (1.00) MMP13ADAM17MMP2MMP14MMP1
SCHEMBL10021361 0.73 MMP13 (0.72) MMP13ADAM17MMP2MMP14MMP1
SCHEMBL29227450 0.72 KMT2A (0.48) MMP13ADAM17MMP2MMP14GPR119
SCHEMBL4978176 0.72 GPR119 (0.54) GPR119
SCHEMBL4975111 0.72 GPR119 (0.54) GPR119

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-6476027-B1 N-hydroxy 4-sulfonyl butanamide compounds MONSANTO COMPANY 2002-11-05 US disclosed