SCHEMBL5575541

SCHEMBL5575541

CCCCC(Cl)CCCP(=O)(O)O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 3/20 0.56
LPAR2 Q9HBW0 1/20 0.56
FDPS P14324 4/20 0.54
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
S1PR2 O95136 10/20 0.47
S1PR1 P21453 10/20 0.47
S1PR3 Q99500 10/20 0.47
S1PR4 O95977 9/20 0.47
S1PR5 Q9H228 1/20 0.46

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
Phosphoric Acid SCHEMBL11360803 0.87 FDPS (0.56) LPAR3LPAR2FDPSS1PR2S1PR1
SCHEMBL4427365 0.83 LPAR3 (0.60) LPAR3LPAR2FDPSALDH1A1TDP1
SCHEMBL4410146 0.78 ALDH1A1 (0.48) LPAR3LPAR2ALDH1A1TDP1S1PR2
SCHEMBL59054 0.77
SCHEMBL4540450 0.76 DNM1 (0.45) FDPSALDH1A1TDP1
SCHEMBL27739877 0.76 FDPS (0.60) LPAR3LPAR2FDPSS1PR2S1PR1
Phosphoric Acid SCHEMBL23466792 0.74 LPAR3 (0.75) LPAR3LPAR2FDPSS1PR2S1PR1
SCHEMBL9583412 0.74
SCHEMBL16816919 0.74
SCHEMBL17626425 0.74 LPAR3 (0.75) LPAR3LPAR2FDPSS1PR2S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007019478-A2 DRUG DELIVERY FROM IMPLANTS USING SELF-ASSEMBLED MONOLAYERS - THERAPEUTIC SAMS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-02-15 WO disclosed