SCHEMBL23981027

SCHEMBL23981027

CCCCCOC(=O)C(O)(CC(=O)OCCCC)CC(=O)OCCCC

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.53
RAD52 P43351 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
FAAH O00519 2/20 0.45
DGKA P23743 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTR2C P28335 1/20 0.44
EPHX1 P07099 1/20 0.42
ATM Q13315 1/20 0.41
TSHR P16473 4/20 0.41
HCAR2 Q8TDS4 2/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
HPGD P15428 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL18485495 0.98 NAAA (0.56) NAAARAD52NPSR1FAAHDGKA
SCHEMBL1218942 0.98 NAAA (0.55) NAAARAD52NPSR1FAAHDGKA
SCHEMBL1218319 0.96 NAAA (0.58) NAAARAD52NPSR1FAAHDGKA
SCHEMBL43835 0.96 NAAA (0.58) NAAARAD52NPSR1FAAHDGKA
SCHEMBL28058 0.96 NAAA (0.58) NAAARAD52NPSR1FAAHDGKA
SCHEMBL14522676 0.96 NAAA (0.58) NAAARAD52NPSR1FAAHDGKA
SCHEMBL1400502 0.96 NAAA (0.58) NAAARAD52NPSR1FAAHDGKA
SCHEMBL9410611 0.96 NAAA (0.58) NAAARAD52NPSR1FAAHDGKA
SCHEMBL42509 0.96 NAAA (0.58) NAAARAD52NPSR1FAAHDGKA
SCHEMBL1218314 0.96 NAAA (0.58) NAAARAD52NPSR1FAAHDGKA

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-2021221335-A1 INK COMPOSITION FOR ELECTROPHORESIS APPARATUS, AND DISPLAY APPARATUS USING SAME 삼성에스디아이 주식회사 (KR) 2021-11-04 WO disclosed