SCHEMBL9254498

SCHEMBL9254498

CCOC(=O)CC1CC2OC(C)(C)OC2CC1CC(=O)OCC

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.36
▸ MGAM O43451 1/20 0.36
▸ SI P14410 1/20 0.36
▸ MGAM2 Q2M2H8 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ TSHR P16473 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.34
▸ MIF P14174 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ EPHX2 P34913 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ PPM1B O75688 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ PPP1CC P36873 1/20 0.32

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
SCHEMBL20217024 0.81 PPM1B (0.35) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL20230431 0.81 PPM1B (0.35) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL20217055 0.81 PPM1B (0.35) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL20230433 0.81 PPM1B (0.35) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL20217023 0.76 MGAM (0.35) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL30747427 0.76 MEN1 (0.40) KMT2AALDH1A1LMNAPPM1BPTPN1
SCHEMBL9005307 0.74 MIF (0.36) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL6270051 0.74 MIF (0.36) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL2224202 0.73 SIGMAR1 (0.37) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL2224200 0.73 SIGMAR1 (0.37) GAAMGAMSIMGAM2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0642353-A1 TREATMENT OF VASCULAR LEAKAGE SYNDROME AND COLLAGENASE INDUCED DISEASE BY ADMINISTRATION OF MATRIX METALLOPROTEINASE INHIBITORS ONCOLOGIX, INC. (US) 1995-03-15 — — EP disclosed
WO-1993023075-A1 TREATMENT OF VASCULAR LEAKAGE SYNDROME AND COLLAGENASE INDUCED DISEASE BY ADMINISTRATION OF MATRIX METALLOPROTEINASE INHIBITORS ONCOLOGIX, INC. (US) 1993-11-25 — — WO disclosed
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