SCHEMBL10908985

SCHEMBL10908985

CCCCCCOP(=O)(OCCCCCC)C(C(=O)N(CCCC)CCCC)P(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 9/20 0.47
LPAR2 Q9HBW0 6/20 0.47
LPAR1 Q92633 5/20 0.47
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP8 P22894 1/20 0.42
LPAR5 Q9H1C0 1/20 0.38
GGPS1 O95749 3/20 0.38
FDPS P14324 3/20 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
SCHEMBL3627931 0.90 LPAR3 (0.49) LPAR3LPAR2LPAR1LPAR5FDPS
SCHEMBL16697061 0.74 LPAR3 (0.40) LPAR3LPAR2LPAR1MMP1MMP2
SCHEMBL29289389 0.72 CYP3A4 (0.53) LPAR3LPAR2LPAR1MMP1MMP2
SCHEMBL11799989 0.72 FDPS (0.52) LPAR3LPAR2MMP1MMP2MMP3
SCHEMBL16697211 0.69 FDPS (0.52) MMP1MMP2MMP3MMP8GGPS1
SCHEMBL4267777 0.67 LPAR3 (0.58) LPAR3LPAR2LPAR1LPAR5
SCHEMBL28131538 0.67 LPAR3 (0.57) LPAR3LPAR2LPAR1LPAR5
SCHEMBL3463162 0.66 LPAR3 (0.75) LPAR3LPAR2LPAR1LPAR5
SCHEMBL22974810 0.66 LPAR3 (0.75) LPAR3LPAR2LPAR1LPAR5
Phosphoric Acid Monododecyl Ester SCHEMBL9437045 0.66 LPAR3 (1.00) LPAR3LPAR2LPAR1LPAR5

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
US-4574072-A Method for extracting lanthanides and actinides from acid solutions by modification of purex solvent THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1986-03-04 US disclosed
US-4548790-A DIALKYLCARBAMOYLMETHYLPHOSPINE OXIDE DERIVATES AS EXTRACTANTS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1985-10-22 US disclosed