SCHEMBL8735923

SCHEMBL8735923

CCCCCCCCCCCCCCCCCCOC[C@H](COC(=O)CP(=O)(O)O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.48
LPAR1 Q92633 3/20 0.45
LPAR3 Q9UBY5 3/20 0.45
TLR2 O60603 8/20 0.44
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.40
P2RY10 O00398 1/20 0.40
GPR174 Q9BXC1 1/20 0.40
GPR34 Q9UPC5 1/20 0.40
LPAR2 Q9HBW0 1/20 0.40

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
SCHEMBL4483073 0.87 CETP (0.50) CETPLPAR1LPAR3TLR2ALDH1A1
SCHEMBL10519397 0.83 TLR2 (0.45) TLR2ALDH1A1LMNA
SCHEMBL4481628 0.83 CETP (0.49) CETPLPAR1LPAR3TLR2LPAR2
SCHEMBL31069863 0.83 LPAR1 (0.67) CETPLPAR1LPAR3LPAR2
SCHEMBL385051 0.83 LPAR1 (0.67) CETPLPAR1LPAR3LPAR2
SCHEMBL9575700 0.83 TLR2 (0.44) TLR2ALDH1A1LMNA
SCHEMBL10604671 0.82 PLA2G10 (0.47) CETPLPAR1LPAR3TLR2TDP1
SCHEMBL10605748 0.82 PLA2G10 (0.47) CETPLPAR1LPAR3TLR2TDP1
SCHEMBL10604578 0.82 PLA2G10 (0.47) CETPLPAR1LPAR3TLR2TDP1
SCHEMBL18641859 0.82 PLA2G10 (0.47) CETPLPAR1LPAR3TLR2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5696277-A CYTOMEGALOVIRUS, HERPES VIRUS Hostetler, Karl Y. (US) 1997-12-09 US claimed
EP-0792275-A4 IMPROVED ANTIVIRAL PRODRUGS UNIV CALIFORNIA (US) 1998-02-25 EP disclosed
EP-0792275-A1 IMPROVED ANTIVIRAL PRODRUGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-09-03 EP disclosed
WO-1996015132-A1 IMPROVED ANTIVIRAL PRODRUGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-05-23 WO disclosed