SCHEMBL7991094

SCHEMBL7991094

CCCCCCCCCCCOC(=O)C(CCCCCCC)CCCCCCCCCC(O)CCCCCC

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.53
FFAR4 Q5NUL3 1/20 0.53
GPR84 Q9NQS5 8/20 0.50
NAAA Q02083 1/20 0.48
NFKB1 P19838 1/20 0.47
EPHX1 P07099 1/20 0.46
CA2 P00918 1/20 0.46
TSHR P16473 2/20 0.44
FAAH O00519 1/20 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
SCHEMBL8006383 1.00 FFAR1 (0.53) FFAR1FFAR4GPR84NAAANFKB1
SCHEMBL19066841 1.00 FFAR1 (0.53) FFAR1FFAR4GPR84NAAANFKB1
SCHEMBL1033880 1.00 FFAR1 (0.53) FFAR1FFAR4GPR84NAAANFKB1
SCHEMBL8418227 0.93 CA2 (0.51) FFAR1FFAR4GPR84NAAANFKB1
SCHEMBL296649 0.93 NAAA (0.55) NAAAEPHX1CA2TSHRFAAH
SCHEMBL296648 0.93 NAAA (0.55) NAAAEPHX1CA2TSHRFAAH
SCHEMBL5179238 0.93 NAAA (0.55) NAAAEPHX1CA2TSHRFAAH
SCHEMBL20535742 0.93 NAAA (0.55) NAAAEPHX1CA2TSHRFAAH
SCHEMBL730516 0.93 NAAA (0.55) NAAAEPHX1CA2TSHRFAAH
SCHEMBL20512287 0.93 NAAA (0.55) NAAAEPHX1CA2TSHRFAAH

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-1044674-A2 Composition for lip rouge SHISEIDO COMPANY LIMITED (JP) 2000-10-18 EP disclosed