SCHEMBL9486354

SCHEMBL9486354

CCCCCCCCCCCCC(C(=O)O)C(C)P(=O)(O)O

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.53
LAP3 P28838 2/20 0.50
ACE2 Q9BYF1 1/20 0.49
GPR84 Q9NQS5 3/20 0.48
FFAR1 O14842 1/20 0.48
MAPT P10636 1/20 0.47
LCK P06239 1/20 0.47
PPARD Q03181 1/20 0.47
ZDHHC20 Q5W0Z9 1/20 0.47
ZDHHC2 Q9UIJ5 1/20 0.47
S1PR2 O95136 5/20 0.46
S1PR1 P21453 5/20 0.46
S1PR3 Q99500 5/20 0.46
S1PR4 O95977 4/20 0.46
SMPD1 P17405 2/20 0.44

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
SCHEMBL9485764 1.00 FDPS (0.53) FDPSLAP3ACE2GPR84FFAR1
SCHEMBL9487807 0.83 CA1 (0.53) FDPSLAP3GPR84S1PR2S1PR1
SCHEMBL9487177 0.83 CA1 (0.53) FDPSLAP3GPR84S1PR2S1PR1
SCHEMBL337012 0.80 GPR84 (0.64) ACE2GPR84FFAR1MAPTLCK
SCHEMBL338186 0.80 GPR84 (0.64) ACE2GPR84FFAR1MAPTLCK
SCHEMBL337767 0.80 GPR84 (0.64) ACE2GPR84FFAR1MAPTLCK
SCHEMBL9066915 0.80 GPR84 (0.64) ACE2GPR84FFAR1MAPTLCK
SCHEMBL37192 0.80 GPR84 (0.64) ACE2GPR84FFAR1MAPTLCK
SCHEMBL5547897 0.80 GPR84 (0.64) ACE2GPR84FFAR1MAPTLCK
SCHEMBL26969034 0.80 GPR84 (0.64) ACE2GPR84FFAR1MAPTLCK

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-5260051-A Surfactants, soaps, toothpastes LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1993-11-09 US disclosed
EP-0493927-A1 Phosphate esters and compositions containing them UNILEVER PLC (GB) 1992-07-08 EP disclosed