SCHEMBL5615652

SCHEMBL5615652

CCCCCCCCOC(=O)OCCCOP(=O)(NCCC)OCCCOC(=O)OCCCCCCCC

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 3/20 0.46
LPAR1 Q92633 2/20 0.46
LPAR2 Q9HBW0 2/20 0.46
EPHX1 P07099 1/20 0.44
ACHE P22303 10/20 0.42
NAAA Q02083 1/20 0.42
FAAH O00519 1/20 0.40
TSHR P16473 2/20 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
SCHEMBL5615817 0.98 LPAR3 (0.43) LPAR3LPAR1LPAR2EPHX1ACHE
SCHEMBL5615625 0.86 ACHE (0.40) LPAR3LPAR1LPAR2ACHE
SCHEMBL5615915 0.83 EPHX1 (0.45) LPAR3LPAR1LPAR2EPHX1ACHE
SCHEMBL4583913 0.80 CYP3A4 (0.54) LPAR3LPAR1LPAR2TSHR
SCHEMBL5615622 0.80 ALDH1A1 (0.43) ACHE
SCHEMBL5615899 0.80 CYP3A4 (0.34) LPAR3LPAR1LPAR2EPHX1ACHE
SCHEMBL5617881 0.79 LPAR3 (0.53) LPAR3LPAR1LPAR2EPHX1NAAA
SCHEMBL5615911 0.79 L3MBTL1 (0.46) TSHR
SCHEMBL5615777 0.79 LPAR3 (0.42) LPAR3LPAR1LPAR2EPHX1NAAA
SCHEMBL5615903 0.78 ACHE (0.43) LPAR3LPAR1ACHE

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-2007146085-A2 CREATINE PHOSPHATE PRODRUGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2007-12-21 WO disclosed