SCHEMBL7308362

SCHEMBL7308362

CCCCCCCCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MMP8 P22894 2/20 0.51
▸ MMP3 P08254 6/20 0.48
▸ PLA2G2A P14555 2/20 0.47
▸ PLA2G5 P39877 2/20 0.47
▸ MMP9 P14780 4/20 0.47
▸ FNTA P49354 1/20 0.45
▸ FNTB P49356 1/20 0.45
▸ EPHX1 P07099 2/20 0.44
▸ CAPN1 P07384 2/20 0.44
▸ SIRT6 Q8N6T7 1/20 0.44
▸ SIRT1 Q96EB6 1/20 0.44
▸ NAAA Q02083 2/20 0.44
▸ MMP1 P03956 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MMP2 P08253 1/20 0.42

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
SCHEMBL7299696 0.83 CAPN1 (0.56) MMP8MMP9CAPN1MMP2
SCHEMBL7304649 0.83 CAPN1 (0.56) MMP8MMP9CAPN1MMP2
SCHEMBL7299705 0.83 CAPN1 (0.56) MMP8MMP9CAPN1MMP2
SCHEMBL7304634 0.83 CAPN1 (0.56) MMP8MMP9CAPN1MMP2
SCHEMBL7769536 0.82 FNTA (0.57) MMP8FNTAFNTBEPHX1NAAA
SCHEMBL2750641 0.82 FNTA (0.57) MMP8FNTAFNTBEPHX1NAAA
SCHEMBL20542992 0.81 EPHX1 (0.63) MMP8MMP3PLA2G2APLA2G5MMP9
SCHEMBL20542668 0.81 EPHX1 (0.63) MMP8MMP3PLA2G2APLA2G5MMP9
SCHEMBL20542669 0.81 EPHX1 (0.63) MMP8MMP3PLA2G2APLA2G5MMP9
SCHEMBL20542990 0.81 EPHX1 (0.63) MMP8MMP3PLA2G2APLA2G5MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5214056-A Thiol protease inhibitors JAPAN TOBACCO INC. (JP) 1993-05-25 — — US claimed
US-5214056-A Thiol protease inhibitors JAPAN TOBACCO INC. (JP) 1993-05-25 — — US disclosed
EP-0460239-A1 1,3,2-DIOXATHIOLANE OXIDE DERIVATIVE Japan Tobacco Inc. (JP) 1991-12-11 — — EP disclosed
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