SCHEMBL8988443

SCHEMBL8988443

COC(=O)CCc1ccc(C2CCN(c3ccc(C(C)NC(=O)OC(C)(C)C)cc3)C2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.42
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
ADAM17 P78536 1/20 0.37
HRH3 Q9Y5N1 3/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
ACACB O00763 8/20 0.34
CTSL P07711 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
ACE P12821 1/20 0.34
KLK5 Q9Y337 1/20 0.33

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
SCHEMBL8988516 0.84 HRH3 (0.40) HRH3
SCHEMBL8988580 0.79 HRH3 (0.43) HRH3
SCHEMBL8988588 0.76 ITGB3 (0.49) HRH3
SCHEMBL13921182 0.72 CYP4F2 (0.51) ACACB
SCHEMBL4495403 0.72 CYP4F2 (0.51) ACACB
SCHEMBL13921181 0.71 CTSK (0.47) CTSLALDH1A1ACE
SCHEMBL4498506 0.71 CTSK (0.47) CTSLALDH1A1ACE
SCHEMBL31615164 0.71 HRH3 (0.47) HRH3
SCHEMBL31615138 0.71 HRH3 (0.47) HRH3
SCHEMBL31615163 0.71 HRH3 (0.47) HRH3

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
US-5489693-A ANTICOAGULANTS DR. KARK THOMAE, GMBH (DE) 1996-02-06 US disclosed
EP-0567968-A1 Cyclic imino derivatives, medicaments containing these compounds and processes for the production thereof Dr. Karl Thomae GmbH (DE) 1993-11-03 EP disclosed