SCHEMBL8413575

SCHEMBL8413575

CCCCCCCCC=CCCCCCCCCCCCCOC(C)(O[PH](=O)O)[PH](C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 3/20 0.43
LPAR1 Q92633 2/20 0.43
LPAR2 Q9HBW0 2/20 0.43
FAAH O00519 4/20 0.38
TRPV1 Q8NER1 1/20 0.38
TERT O14746 3/20 0.37
MAPT P10636 2/20 0.37
BLM P54132 2/20 0.37
HSD17B10 Q99714 2/20 0.37
FABP4 P15090 2/20 0.37
GMNN O75496 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
APEX1 P27695 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 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
SCHEMBL8413985 0.91 LPAR3 (0.38) LPAR3LPAR1LPAR2BLMRECQL
SCHEMBL8416925 0.91 LPAR3 (0.38) LPAR3LPAR1LPAR2BLMRECQL
SCHEMBL8416882 0.91 LPAR3 (0.38) LPAR3LPAR1LPAR2BLMRECQL
SCHEMBL8416960 0.91 LPAR3 (0.38) LPAR3LPAR1LPAR2BLMRECQL
SCHEMBL8415255 0.85 LPAR3 (0.42) LPAR3LPAR1LPAR2FAAHTRPV1
SCHEMBL8415907 0.75 LPAR3 (0.37) LPAR3LPAR1LPAR2MAPTKMT2A
SCHEMBL8415252 0.75 LPAR3 (0.37) LPAR3LPAR1LPAR2MAPTKMT2A
SCHEMBL3719973 0.74 LPAR3 (0.54) LPAR3LPAR1LPAR2FAAHTRPV1
SCHEMBL3712984 0.74 LPAR3 (0.54) LPAR3LPAR1LPAR2FAAHTRPV1
SCHEMBL3962398 0.72 LPAR3 (0.53) LPAR3LPAR1LPAR2FAAHTRPV1

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
US-5958906-A Phospholipid derivatives containing higher elements of the fifth main group ASTA-MEDICA AKTIENGESELLSCHAFT (DE) 1999-09-28 US disclosed