SCHEMBL4953298

SCHEMBL4953298

CC(=O)OCCCCCCCCCCCP(=O)(O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 3/20 0.50
LPAR2 Q9HBW0 2/20 0.50
ALDH1A1 P00352 2/20 0.50
TYMS P04818 1/20 0.44
LMNA P02545 2/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
S1PR2 O95136 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
PTGS2 P35354 1/20 0.40
BBOX1 O75936 2/20 0.39
PGR P06401 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
HTR1A P08908 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRM3 P20309 1/20 0.39

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
SCHEMBL17754085 1.00 LPAR3 (0.50) LPAR3LPAR2ALDH1A1TYMSLMNA
SCHEMBL7903599 1.00 LPAR3 (0.50) LPAR3LPAR2ALDH1A1TYMSLMNA
SCHEMBL17753880 0.98 ALDH1A1 (0.52) LPAR3LPAR2ALDH1A1TYMSLMNA
SCHEMBL17753846 0.91 ALDH1A1 (0.54) LPAR3LPAR2ALDH1A1TYMSLMNA
SCHEMBL14029192 0.82 ALDH1A1 (0.45) LPAR3LPAR2ALDH1A1LMNAAPOBEC3A
SCHEMBL4893786 0.82 ALDH1A1 (0.46) LPAR3LPAR2ALDH1A1TYMSLMNA
SCHEMBL8607908 0.82 ALDH1A1 (0.70) ALDH1A1LMNAAPOBEC3AAPOBEC3GPTGS2
SCHEMBL15299079 0.82 ALDH1A1 (0.70) ALDH1A1LMNAAPOBEC3AAPOBEC3GPTGS2
SCHEMBL11492305 0.82 ALDH1A1 (0.70) ALDH1A1LMNAAPOBEC3AAPOBEC3GPTGS2
SCHEMBL5136503 0.82 ALDH1A1 (0.70) ALDH1A1LMNAAPOBEC3AAPOBEC3GPTGS2

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-20080131709-A1 COMPOSITE STRUCTURE WITH ORGANOPHOSPHONATE ADHERENT LAYER AND METHOD OF PREPARING ACULON INC. (US) 2008-06-05 US claimed
WO-2008039959-A2 COMPOSITE STRUCTURE WITH ORGANOPHOSPHONATE ADHERENT LAYER AND METHOD OF PREPARING ACULON INC. (US) 2008-04-03 WO claimed
US-20080131709-A1 COMPOSITE STRUCTURE WITH ORGANOPHOSPHONATE ADHERENT LAYER AND METHOD OF PREPARING ACULON INC. (US) 2008-06-05 US disclosed
WO-2008039959-A2 COMPOSITE STRUCTURE WITH ORGANOPHOSPHONATE ADHERENT LAYER AND METHOD OF PREPARING ACULON INC. (US) 2008-04-03 WO disclosed