SCHEMBL28817873

SCHEMBL28817873

CC(CCCCCC(=O)O)CCCCCC(=O)OCCCCCCCCCCO

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.48
FFAR4 Q5NUL3 2/20 0.48
GPR84 Q9NQS5 1/20 0.48
ALDH1A1 P00352 2/20 0.43
DGKA P23743 1/20 0.42
PAM P19021 2/20 0.39
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
CAMK2A Q9UQM7 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
GSTK1 Q9Y2Q3 1/20 0.37
DNM1 Q05193 1/20 0.36

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
SCHEMBL6918887 0.91 DGKA (0.44) FFAR1FFAR4GPR84ALDH1A1DGKA
SCHEMBL7606824 0.87 GPR84 (0.64) FFAR1FFAR4GPR84ALDH1A1DGKA
SCHEMBL7033618 0.87 GPR84 (0.64) FFAR1FFAR4GPR84ALDH1A1DGKA
SCHEMBL797473 0.87 GPR84 (0.64) FFAR1FFAR4GPR84ALDH1A1DGKA
SCHEMBL18710354 0.87 GPR84 (0.64) FFAR1FFAR4GPR84ALDH1A1DGKA
SCHEMBL2376184 0.87 GPR84 (0.64) FFAR1FFAR4GPR84ALDH1A1DGKA
SCHEMBL8679037 0.87 GPR84 (0.64) FFAR1FFAR4GPR84ALDH1A1DGKA
SCHEMBL7064050 0.87 GPR84 (0.64) FFAR1FFAR4GPR84ALDH1A1DGKA
SCHEMBL21114449 0.87 GPR84 (0.64) FFAR1FFAR4GPR84ALDH1A1DGKA
SCHEMBL12922833 0.87 GPR84 (0.64) FFAR1FFAR4GPR84ALDH1A1DGKA

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
CN-114763405-A Polyester and preparation method thereof 中国科学院大连化学物理研究所 2022-07-19 CN disclosed