SCHEMBL7769461

SCHEMBL7769461

CCCCCCCCCCCCCCCC(=O)C(O)C(O)(C(=O)O)C(=O)CCCC(CC)CCCCCCCCCCC

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 1/20 0.41
▸ FFAR1 O14842 1/20 0.41
▸ CA2 P00918 1/20 0.38
▸ FAAH O00519 3/20 0.37
▸ GPR84 Q9NQS5 2/20 0.37
▸ CES1 P23141 2/20 0.37
▸ CES2 O00748 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
SCHEMBL7769457 0.88 FFAR4 (0.37) FFAR4FFAR1CA2FAAHCES1
SCHEMBL2789673 0.81 FAAH (0.54) FFAR4FFAR1FAAHCES1
SCHEMBL2789667 0.81 FAAH (0.54) FFAR4FFAR1FAAHCES1
SCHEMBL8088152 0.78 FAAH (0.47) FFAR4FFAR1FAAHGPR84CES1
SCHEMBL29797083 0.77 HSPD1 (0.48) FFAR4FFAR1FAAHCES1CES2
SCHEMBL28219332 0.77 FFAR1 (0.50) FFAR4FFAR1FAAHGPR84CES1
SCHEMBL27593505 0.77 FAAH (0.46) FFAR4FFAR1FAAHGPR84CES1
SCHEMBL9436013 0.76 FAAH (0.44) FAAHCES1CES2
SCHEMBL25299017 0.72 FAAH (0.50) FAAHCES1CES2
SCHEMBL2678860 0.72 FAAH (0.50) FAAHCES1CES2

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
EP-0687722-B1 Biodegradable fabric conditioning molecules based on glyceric acid UNILEVER PLC (GB) 2001-08-29 — — EP claimed
Send feedback