SCHEMBL7445871

SCHEMBL7445871

CCC(CC)C(CC)(C(=O)O)P(=O)(O)OC

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.32
MMP2 P08253 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MMP8 P22894 1/20 0.32
CA9 Q16790 1/20 0.32
MMP3 P08254 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
SCHEMBL149057 0.81 GCLC (0.33) MMP1MMP2CA12CA1CA2
SCHEMBL3896487 0.71 GRM2 (0.32)
SCHEMBL29690413 0.69 FDPS (0.31)
SCHEMBL138697 0.69 ALDH1A1 (0.36)
SCHEMBL2990247 0.68 MMP1 (0.34) MMP1MMP2CA12CA1CA2
SCHEMBL3889930 0.68 MMP8 (0.37) MMP8
SCHEMBL6237312 0.66 GCLC (0.33)
SCHEMBL138696 0.65 L3MBTL1 (0.32)
SCHEMBL5707266 0.65 L3MBTL1 (0.32)
SCHEMBL11597691 0.64

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-0720600-B1 3-(3,4-DIOXYPHENYL)-PYRROLIDINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES ICOS CORP (US) 2000-07-12 EP disclosed
US-5665754-A Substituted pyrrolidines GLAXO WELLCOME INC. (US) 1997-09-09 US disclosed
EP-0720600-A1 3-(3,4-DIOXYPHENYL)-PYRROLIDINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO WELLCOME INC. (US) 1996-07-10 EP disclosed
WO-1995008534-A1 3-(3,4-DIOXYPHENYL)-PYRROLIDINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO WELLCOME INC. (US) 1995-03-30 WO disclosed