SCHEMBL3713302

SCHEMBL3713302

CCCCCCCCCCCCCC(CC)CCCCOC(=O)C=CC(=O)OCCCCC(CC)CCCCCCCCCCCCC

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.67
ATM Q13315 2/20 0.63
TSHR P16473 3/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NAAA Q02083 1/20 0.47
APP P05067 4/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
HPGD P15428 1/20 0.46
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
EPHX1 P07099 1/20 0.44
CYP3A4 P08684 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL3713300 1.00 HCAR2 (0.67) HCAR2ATMTSHRMAPTRAB9A
SCHEMBL650226 0.89 TSHR (0.65) HCAR2ATMTSHRNAAAPRSS1
SCHEMBL29220218 0.89 TSHR (0.65) HCAR2ATMTSHRMAPTRAB9A
SCHEMBL444960 0.87 HCAR2 (0.85) HCAR2ATMTSHRMAPTRAB9A
SCHEMBL9318682 0.87 HCAR2 (0.85) HCAR2ATMTSHRMAPTRAB9A
SCHEMBL357423 0.87 HCAR2 (0.85) HCAR2ATMTSHRMAPTRAB9A
SCHEMBL18209632 0.87 HCAR2 (0.85) HCAR2ATMTSHRMAPTRAB9A
SCHEMBL440694 0.87 HCAR2 (0.85) HCAR2ATMTSHRMAPTRAB9A
SCHEMBL42963 0.87 HCAR2 (0.85) HCAR2ATMTSHRMAPTRAB9A
SCHEMBL11042371 0.87 HCAR2 (0.85) HCAR2ATMTSHRMAPTRAB9A

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