SCHEMBL31189082

SCHEMBL31189082

CCCCCCCCC(O)CC#CC#CC(O)CC

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.50
GPR84 Q9NQS5 7/20 0.41
FFAR4 Q5NUL3 1/20 0.40
FFAR1 O14842 1/20 0.40
NFKB1 P19838 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.37
CACNA2D1 P54289 1/20 0.37
CACNB2 Q08289 1/20 0.37
CACNA1C Q13936 1/20 0.37
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
SPHK1 Q9NYA1 1/20 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
SCHEMBL31682139 0.87 GPR84 (0.44) HMGCRGPR84FFAR4FFAR1NFKB1
SCHEMBL31189051 0.87 HMGCR (0.55) HMGCRGPR84FFAR4FFAR1NFKB1
SCHEMBL30629423 0.85 HMGCR (0.54) HMGCRGPR84FFAR4FFAR1ABCG2
SCHEMBL30040696 0.85 HMGCR (0.52) HMGCRGPR84FFAR1ABCG2CACNA2D1
SCHEMBL28742961 0.85 HMGCR (0.52) HMGCRGPR84FFAR1ABCG2CACNA2D1
SCHEMBL13456887 0.81 ABCG2 (0.59) HMGCRGPR84FFAR4FFAR1NFKB1
SCHEMBL31189050 0.80 HMGCR (0.62) HMGCRABCG2CACNA2D1CACNB2CACNA1C
SCHEMBL25325189 0.79 SPHK1 (0.46) HMGCRGPR84FFAR1SPHK1
SCHEMBL25325186 0.79 SPHK1 (0.46) HMGCRGPR84FFAR1SPHK1
SCHEMBL12677772 0.78 GPR84 (0.41) HMGCRGPR84FFAR4FFAR1NFKB1

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-2023213310-A9 CARBON CHAIN SUBSTANCE FOR REGULATING TRANSMEMBRANE TRANSPORT AND FLUIDITY OF CELL MEMBRANES, AND PREPARATION AND USE THEREOF 太阳雨林(北京)生物医药有限公司 2025-02-20 WO disclosed