SCHEMBL7903447

SCHEMBL7903447

C=CCO[C@H]1O[C@H](C)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SSTR1 P30872 1/20 0.39
SSTR2 P30874 1/20 0.39
SSTR4 P31391 1/20 0.39
SSTR3 P32745 1/20 0.39
SSTR5 P35346 1/20 0.39
PDPK1 O15530 1/20 0.38
MTOR P42345 1/20 0.38
BCHE P06276 3/20 0.38
ALOX15 P16050 1/20 0.37
SLC6A2 P23975 1/20 0.34
ACHE P22303 1/20 0.34
PTPN1 P18031 4/20 0.34
CDC25B P30305 4/20 0.34
FGF1 P05230 2/20 0.34
FGF2 P09038 2/20 0.34
VEGFA P15692 2/20 0.34
HPSE Q9Y251 2/20 0.34
ALDH1A1 P00352 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
SCHEMBL15654185 0.88 BCHE (0.44) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL1034642 0.88 BCHE (0.44) SSTR5PDPK1MTORBCHEALOX15
SCHEMBL2804927 0.88 ALDH1A1 (0.38) PDPK1MTORBCHEALOX15ALDH1A1
SCHEMBL7775231 0.87 PDPK1 (0.45) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL1775905 0.87 GJB2 (0.46) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL1775228 0.87 GJB2 (0.46) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL1775230 0.87 GJB2 (0.46) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL1742927 0.86 BCHE (0.44) SSTR5PDPK1MTORBCHEALOX15
SCHEMBL5490746 0.86 BCHE (0.44) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL8814352 0.84 BCHE (0.43) SSTR1SSTR2SSTR4SSTR3SSTR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0642799-B1 Improved prodrugs for enzyme mediated activation HOECHST AG (DE) 2001-11-07 EP disclosed
US-5621002-A HAVING A MODIFIED COMPETITIVE ENZYME ACTIVITY INHBITOR LINKED TO A SPACER-DRUG; ENZYME CLEAVAGE AT A LOWER CONCENTRATION, I.E. LOW MICHAELIS-MENTEN CONSTANT(KM) BEHRINGWERKE AKTIENGESELLSCHAFT (DE) 1997-04-15 US disclosed
EP-0642799-A1 Improved prodrugs for enzyme mediated activation BEHRINGWERKE Aktiengesellschaft (DE) 1995-03-15 EP disclosed