SCHEMBL8894816

SCHEMBL8894816

COc1ccc(CCCCCC2(C(=O)O)CCCC2C(=O)OC(C)(C)C)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 4/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
EPHX1 P07099 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
CHRM3 P20309 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PLAAT3 P53816 1/20 0.36
PLAAT5 Q96KN8 1/20 0.36
PLAAT2 Q9NWW9 1/20 0.36
PLAAT4 Q9UL19 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL8894794 0.84 LMNA (0.40) FKBP1AMEN1KMT2AEPHX1ALDH1A1
SCHEMBL9753810 0.73 AKT1 (0.39) MEN1KMT2ACHRM3ALDH1A1PDE4A
SCHEMBL8568541 0.72 MME (0.31)
Hydrochloric Acid SCHEMBL9753577 0.72 AKT1 (0.39) MEN1KMT2ACHRM3ALDH1A1PDE4A
SCHEMBL8103699 0.70 STAT3 (0.41) FKBP1AMTNR1AMTNR1BMEN1KMT2A
SCHEMBL28195125 0.68 MAPK1 (0.31)
Isopropylamine SCHEMBL8572293 0.68 MME (0.31)
Bicarbonate SCHEMBL8103701 0.67 KMT2A (0.47) FKBP1AMTNR1AMTNR1BMEN1KMT2A
SCHEMBL8894806 0.66 KMT2A (0.43) FKBP1AMTNR1AMTNR1BMEN1KMT2A
SCHEMBL8241380 0.66 CA12 (0.53) MTNR1AMTNR1BPLAAT3PLAAT5PLAAT2

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
US-5677297-A ENZYME INHIBITOR FOR TREATING THE HEART FAILURE TO REDUCE THE CARDIAC PRESSURE, DIURETICS SOLVAY PHARMACEUTICALS GMBH (DE) 1997-10-14 US disclosed