SCHEMBL7311900

SCHEMBL7311900

COCCCOc1cc(CCCC(C(C)C)[C@@H]2C[C@@H](C(C)C)C(=O)O2)ccc1OC

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 17/20 0.39
CYP3A4 P08684 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LYPLA1 O75608 1/20 0.35
LYPLA2 O95372 1/20 0.35
ABHD16A O95870 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA1D P25100 1/20 0.35
HTR2A P28223 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
HTR2B P41595 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL7311901 1.00 REN (0.39) RENCYP3A4TDP1LYPLA1LYPLA2
SCHEMBL16369589 0.81 REN (0.47) REN
SCHEMBL15908018 0.81 REN (0.47) REN
SCHEMBL22045827 0.80 REN (0.47) REN
SCHEMBL462322 0.79 REN (0.50) REN
SCHEMBL21986306 0.79 REN (0.46) REN
SCHEMBL13336547 0.79 REN (0.46) REN
SCHEMBL3947837 0.79 REN (0.50) REN
SCHEMBL2428900 0.79 REN (0.46) REN
SCHEMBL19304577 0.79 REN (0.50) REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0678503-A1 Delta-amino-gamma-hydroxy-omega-aryl alkanoic acid amides with enzyme especially renin inhibiting activities CIBA-GEIGY AG (CH) 1995-10-25 EP claimed