SCHEMBL7821202

SCHEMBL7821202

CCCCCCC(C)C(=O)O.CCCCCCCCP(=O)(O)O

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 3/20 0.62
LPAR2 Q9HBW0 1/20 0.62
ACE2 Q9BYF1 1/20 0.61
FDPS P14324 4/20 0.56
S1PR2 O95136 10/20 0.53
S1PR1 P21453 10/20 0.53
S1PR3 Q99500 10/20 0.53
S1PR4 O95977 9/20 0.53
LAP3 P28838 1/20 0.49
S1PR5 Q9H228 1/20 0.47

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
SCHEMBL6657056 0.85 ACE2 (0.80) ACE2
SCHEMBL7080552 0.85 ACE2 (0.80) ACE2
SCHEMBL545070 0.85 ACE2 (0.80) ACE2
SCHEMBL194398 0.85 ACE2 (0.80) ACE2
SCHEMBL22023412 0.85 ACE2 (0.80) ACE2
SCHEMBL277986 0.85 ACE2 (0.80) ACE2
SCHEMBL247871 0.85 ACE2 (0.80) ACE2
SCHEMBL2054033 0.85 ACE2 (0.80) ACE2
SCHEMBL7146627 0.85 ACE2 (0.80) ACE2
Dodecane SCHEMBL14691319 0.85 ACE2 (0.80) ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed