SCHEMBL8613477

SCHEMBL8613477

CC(C)(C=O)C1CCCC(P(=O)(O)O)C1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 2/20 0.37
S1PR1 P21453 2/20 0.37
S1PR3 Q99500 2/20 0.37
S1PR5 Q9H228 2/20 0.37

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
SCHEMBL9837744 0.72
SCHEMBL3271093 0.70 ADH1A (0.32)
SCHEMBL3276795 0.68 ADH1A (0.36)
SCHEMBL18207894 0.67
SCHEMBL30980356 0.65
SCHEMBL9163158 0.63 TRPV1 (0.30)
SCHEMBL2700252 0.63 S1PR4 (0.40) S1PR4S1PR1S1PR3S1PR5
SCHEMBL4259291 0.63 S1PR4 (0.40) S1PR4S1PR1S1PR3S1PR5
SCHEMBL6378870 0.63 S1PR4 (0.35) S1PR4S1PR1S1PR3S1PR5
SCHEMBL19212002 0.62 S1PR4 (0.42) S1PR4S1PR1S1PR3S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5783602-A Leukotriene-B4 derivatives, process for their production and their use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1998-07-21 US disclosed
EP-0741686-B1 NEW LEUKOTRIENE B4 DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS DRUGS SCHERING AG (DE) 1998-04-22 EP disclosed
EP-0741686-A1 NEW LEUKOTRIENE B 4? DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1996-11-13 EP disclosed
WO-1995020562-A1 LEUKOTRIENE B4 DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1995-08-03 WO disclosed
WO-1995020563-A1 NEW LEUKOTRIENE B4 DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1995-08-03 WO disclosed