SCHEMBL3714013

SCHEMBL3714013

CCCCC(CCOC(=O)C=CC(=O)OCCC(CCCC)C(C)C)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.58
HCAR2 Q8TDS4 5/20 0.51
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TSHR P16473 3/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 3/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CYP3A4 P08684 1/20 0.37
APP P05067 5/20 0.36
LMNA P02545 1/20 0.36
CTSK P43235 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
SCHEMBL3714010 1.00 ATM (0.58) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL3713054 0.93 ATM (0.55) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL3713051 0.93 ATM (0.55) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL652535 0.87 TSHR (0.61) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL3709526 0.87 HCAR2 (0.63) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL3709525 0.87 HCAR2 (0.63) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL25341851 0.82 ALDH1A1 (0.55) ATMRAB9ATSHRTDP1CA1
SCHEMBL10837363 0.79 ATM (0.62) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL27510969 0.79 ATM (0.74) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL23468886 0.78 TSHR (0.63) ATMHCAR2TSHRTDP1CA2

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-2398874-B1 COMPOUNDS AND A METHOD OF LUBRICATING AN INTERNAL COMBUSTION ENGINE LUBRIZOL CORP (US) 2017-04-26 EP disclosed
EP-2398874-A1 COMPOUNDS AND A METHOD OF LUBRICATING AN INTERNAL COMBUSTION ENGINE The Lubrizol Corporation (US) 2011-12-28 EP disclosed
WO-2010096291-A1 COMPOUNDS AND A METHOD OF LUBRICATING AN INTERNAL COMBUSTION ENGINE THE LUBRIZOL CORPORATION (US) 2010-08-26 WO disclosed