SCHEMBL7623960

SCHEMBL7623960

COc1ccc(S(=O)(=O)C2(C(=O)O)CCN(Cc3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 15/20 0.76
MMP1 P03956 14/20 0.76
MMP9 P14780 14/20 0.76
MMP13 P45452 14/20 0.76
SMN1; SMN2 Q16637 3/20 0.66
HTT P42858 2/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
ADAMTS4 O75173 1/20 0.65
MMP2 P08253 1/20 0.65
MMP3 P08254 1/20 0.65
MMP7 P09237 1/20 0.65
MMP8 P22894 1/20 0.65
MMP14 P50281 1/20 0.65
ADAMTS5 Q9UNA0 1/20 0.65
ALDH1A1 P00352 3/20 0.62

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
SCHEMBL6567493 0.95 MMP1 (0.79) ADAM17MMP1MMP9MMP13
SCHEMBL6567489 0.91 MMP1 (0.80) ADAM17MMP1MMP9MMP13SMN1; SMN2
SCHEMBL6567121 0.91 MMP1 (0.80) ADAM17MMP1MMP9MMP13SMN1; SMN2
SCHEMBL6568472 0.90 MMP1 (0.82) ADAM17MMP1MMP9MMP13
SCHEMBL6567097 0.90 MMP1 (0.81) ADAM17MMP1MMP9MMP13
SCHEMBL6567087 0.89 MMP13 (0.82) ADAM17MMP1MMP9MMP13MMP2
SCHEMBL6565358 0.89 MMP1 (0.83) ADAM17MMP1MMP9MMP13ADAMTS4
SCHEMBL6566770 0.87 MMP9 (0.82) ADAM17MMP1MMP9MMP13
SCHEMBL7366360 0.87 ADAM17 (0.81) ADAM17MMP1MMP9MMP13SMN1; SMN2
SCHEMBL6266707 0.86 ADAM17 (0.72) ADAM17MMP1MMP9MMP13MMP2

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-6444704-B1 ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS, ANTITUMOR AGENTS AMERICAN HOME PRODUCTS CORPORATION 2002-09-03 US disclosed