SCHEMBL6946625

SCHEMBL6946625

CCOC(=O)C1(CS(=O)(=O)N(C)CCOc2ccc(Cl)cc2)CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.46
▸ ABCB11 O95342 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ RAB9A P51151 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ MMP1 P03956 2/20 0.42
▸ MMP9 P14780 2/20 0.42
▸ MMP13 P45452 2/20 0.42
▸ ADAM17 P78536 2/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ MMP3 P08254 1/20 0.42
▸ MMP7 P09237 1/20 0.42
▸ MMP10 P09238 1/20 0.42
▸ MMP8 P22894 1/20 0.42
▸ MMP14 P50281 1/20 0.42
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40

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
SCHEMBL6946607 0.88 SMN1; SMN2 (0.47) ABCB11SMN1; SMN2L3MBTL1RAB9AATM
SCHEMBL6945635 0.85 MMP13 (0.59) ABCB11SMN1; SMN2L3MBTL1MMP1MMP9
SCHEMBL6953375 0.80 SMN1; SMN2 (0.46) MAPTABCB11LMNAMAPK1SMN1; SMN2
SCHEMBL6946993 0.78 SMN1; SMN2 (0.44) ABCB11SMN1; SMN2L3MBTL1RAB9AATM
SCHEMBL6946980 0.71 MMP13 (0.52) MAPTABCB11LMNAL3MBTL1MMP1
SCHEMBL6954297 0.69 TSHR (0.37) MAPTABCB11LMNAMAPK1RAB9A
SCHEMBL7302178 0.69 MMP1 (0.46) MAPTABCB11LMNAMAPK1SMN1; SMN2
SCHEMBL6735645 0.68 MMP1 (0.47) ABCB11MAPK1SMN1; SMN2L3MBTL1MMP1
Hydrochloric Acid SCHEMBL7777086 0.68 TSHR (0.36) MAPTABCB11LMNAMAPK1RAB9A
SCHEMBL6727302 0.66 MMP13 (0.64) ABCB11MMP1MMP9MMP13ADAM17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1030836-B1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LTD (GB) 2003-01-29 — — EP claimed
US-6187924-B1 INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TUMOR NECROSIS FACTOR-ALPHA-MEDIATED DISEASES DARWIN DISCOVERY, LTD. (GB) 2001-02-13 — — US claimed
EP-1030836-B1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LTD (GB) 2003-01-29 — — EP disclosed
US-6187924-B1 INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TUMOR NECROSIS FACTOR-ALPHA-MEDIATED DISEASES DARWIN DISCOVERY, LTD. (GB) 2001-02-13 — — US disclosed
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