SCHEMBL17178107

SCHEMBL17178107

C=C(O)CCCCCCCCCCCCCCCCO

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 1/20 0.52
▸ FFAR1 O14842 1/20 0.52
▸ FFAR4 Q5NUL3 1/20 0.52
▸ FNTA P49354 1/20 0.39
▸ FNTB P49356 1/20 0.39
▸ LMNA P02545 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ CAMK2A Q9UQM7 1/20 0.36
▸ NFKB1 P19838 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ GAA P10253 1/20 0.31

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
SCHEMBL18067156 1.00 — —
SCHEMBL14407322 1.00 GPR84 (0.52) GPR84FFAR1FFAR4FNTAFNTB
SCHEMBL27398457 1.00 GPR84 (0.52) GPR84FFAR1FFAR4FNTAFNTB
SCHEMBL28893880 1.00 GPR84 (0.52) GPR84FFAR1FFAR4FNTAFNTB
SCHEMBL17178110 1.00 GPR84 (0.52) GPR84FFAR1FFAR4FNTAFNTB
SCHEMBL3349284 0.97 — —
SCHEMBL4446172 0.87 — —
SCHEMBL17178094 0.87 TSHR (0.41) GPR84FFAR1FFAR4LMNATSHR
SCHEMBL13977216 0.85 GAA (0.50) GPR84FFAR1FFAR4FNTAFNTB
SCHEMBL17178108 0.85 GPR84 (0.41) GPR84FFAR1FFAR4LMNAALDH1A1

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
WO-2015157719-A1 SEMISYNTHETIC ROUTES TO ORGANIC COMPOUNDS REG Life Sciences, LLC (US) 2015-10-15 — — WO disclosed
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