SCHEMBL6610106

SCHEMBL6610106

[CH2]C(NC(=O)OC(C)(C)C)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
EPHX1 P07099 2/20 0.47
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CTSK P43235 4/20 0.45
CTSS P25774 2/20 0.45
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA7 P43166 1/20 0.42
BTK Q06187 1/20 0.42
AAK1 Q2M2I8 1/20 0.40
KMT2A Q03164 1/20 0.38
CACNA1B Q00975 1/20 0.37
CA12 O43570 2/20 0.36
CA14 Q9ULX7 1/20 0.36
MMP2 P08253 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL14037661 0.81 CA1 (0.51) GAAEPHX1HDAC4HDAC1HDAC6
SCHEMBL22338809 0.81 CA1 (0.51) GAAEPHX1HDAC4HDAC1HDAC6
SCHEMBL8145423 0.80 CTSS (0.45) GAAEPHX1HDAC4HDAC1HDAC6
SCHEMBL6512296 0.79 GAA (0.46) GAAEPHX1HDAC4HDAC1HDAC6
SCHEMBL23005710 0.79 CTSS (0.47) GAAEPHX1HDAC4HDAC1HDAC6
SCHEMBL22285128 0.79 CTSS (0.47) GAAEPHX1HDAC4HDAC1HDAC6
SCHEMBL12145955 0.79 HDAC4 (0.48) GAAEPHX1HDAC4HDAC1HDAC6
SCHEMBL22125910 0.79 CTSS (0.47) GAAEPHX1HDAC4HDAC1HDAC6
SCHEMBL16317185 0.79 GAA (0.47) GAAEPHX1HDAC4HDAC1HDAC6
SCHEMBL13636231 0.79 GAA (0.47) GAAEPHX1HDAC4HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140895-B1 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO (JP) 2004-03-24 EP claimed
WO-2003018019-A2 NEW USE OF CYCLIC COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-06 WO claimed
EP-1140895-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP claimed
WO-2000040576-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 WO claimed
EP-1140895-B1 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO (JP) 2004-03-24 EP disclosed
EP-1140895-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
WO-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 WO disclosed
WO-2000040576-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 WO disclosed