SCHEMBL11448593

SCHEMBL11448593

CCCCCCCCCCC(O)CC[S+](C)[O-].CCCCCCCCCCC(O)C[S+](C)[O-]

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.45
FFAR4 Q5NUL3 1/20 0.43
FFAR1 O14842 1/20 0.43
NFKB1 P19838 1/20 0.42
CA2 P00918 1/20 0.37
FAAH O00519 2/20 0.36
PSMD14 O00487 2/20 0.36
PLA2G1B P04054 2/20 0.36
MMP2 P08253 2/20 0.36
ATG4B Q9Y4P1 2/20 0.36
HSP90AA1 P07900 1/20 0.36
RAD52 P43351 1/20 0.36
FDPS P14324 2/20 0.35

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
SCHEMBL27383688 0.93 GPR84 (0.50) GPR84FFAR4FFAR1NFKB1CA2
SCHEMBL313735 0.93 GPR84 (0.50) GPR84FFAR4FFAR1NFKB1CA2
SCHEMBL28693843 0.93 GPR84 (0.50) GPR84FFAR4FFAR1NFKB1CA2
SCHEMBL11866732 0.93 GPR84 (0.50) GPR84FFAR4FFAR1NFKB1CA2
SCHEMBL9596574 0.91 GPR84 (0.42) GPR84FFAR4FFAR1NFKB1PSMD14
SCHEMBL10406707 0.91 GPR84 (0.47) GPR84FFAR4FFAR1NFKB1PSMD14
SCHEMBL1284163 0.91 GPR84 (0.47) GPR84FFAR4FFAR1NFKB1PSMD14
SCHEMBL9439003 0.91 GPR84 (0.47) GPR84FFAR4FFAR1NFKB1PSMD14
SCHEMBL7435821 0.91 GPR84 (0.47) GPR84FFAR4FFAR1NFKB1PSMD14
SCHEMBL474084 0.91 GPR84 (0.47) GPR84FFAR4FFAR1NFKB1PSMD14

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-0036691-A1 Bleaching detergent compositions UNILEVER N.V. (NL) 1981-09-30 EP disclosed