SCHEMBL8894794

SCHEMBL8894794

CC(C)(C)OC(=O)C1CCCC1(CCCCc1ccccc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
MAPT P10636 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
LTB4R Q15722 4/20 0.39
LTB4R2 Q9NPC1 3/20 0.39
FKBP1A P62942 7/20 0.38
SIGMAR1 Q99720 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NPY1R P25929 1/20 0.36
EPHX1 P07099 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL9753810 0.85 AKT1 (0.39) LMNAPOLBPKMMAPTKMT2A
Hydrochloric Acid SCHEMBL9753577 0.84 AKT1 (0.39) LMNAPOLBPKMMAPTKMT2A
SCHEMBL8894816 0.84 FKBP1A (0.39) FKBP1AKMT2AMEN1EPHX1ALDH1A1
SCHEMBL8568541 0.76 MME (0.31)
SCHEMBL28195125 0.74 MAPK1 (0.31)
Isopropylamine SCHEMBL8572293 0.72 MME (0.31)
SCHEMBL28891519 0.71 EPHX1 (0.31) EPHX1
SCHEMBL5330628 0.68 KMT2A (0.49) KMT2AL3MBTL1
SCHEMBL30645025 0.66 MFN2 (0.51) POLBFKBP1ASIGMAR1KMT2AALDH1A1
SCHEMBL27028429 0.66 MFN2 (0.51) POLBFKBP1ASIGMAR1KMT2AALDH1A1

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