SCHEMBL6053306

SCHEMBL6053306

O=P(O)(O)[C@H](O)CCCO

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.38
FDPS P14324 6/20 0.36
TYMS P04818 1/20 0.35
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
LAP3 P28838 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MMP2 P08253 1/20 0.32
THRB P10828 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ENPEP Q07075 1/20 0.31

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
SCHEMBL6225784 0.90 FDPS (0.40) PTPN1FDPSTYMSLAP3
SCHEMBL27808604 0.90 FDPS (0.40) PTPN1FDPSTYMSLAP3
SCHEMBL601976 0.83
SCHEMBL3854505 0.79 TYMS (0.55) TYMSALDH1A1TDP1ENPEP
SCHEMBL1657706 0.77 FDPS (0.62) FDPSLAP3
SCHEMBL9181651 0.77 TYMS (0.52) TYMSALDH1A1TDP1ENPEP
SCHEMBL16237440 0.77 LMNA (0.50) FDPSALDH1A1TDP1
Alcohol SCHEMBL13737870 0.77 FDPS (0.63) FDPSLAP3
SCHEMBL3854503 0.76 FDPS (0.61) PTPN1FDPSTYMSALDH1A1TDP1
SCHEMBL28345240 0.75 LPAR3 (0.50) FDPSTYMSALDH1A1TDP1ENPEP

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-1615937-A2 ANALOGS OF LYSOPHOSPHATIDIC ACID AND METHODS OF MAKING AND USING THEREOF University of Utah Research Foundation (US) 2006-01-18 EP disclosed
WO-2004092188-A2 ANALOGS OF LYSOPHOSPHATIDIC ACID AND METHODS OF MAKING AND USING THEREOF UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2004-10-28 WO disclosed