SCHEMBL23926211

SCHEMBL23926211

CCC(O)CCCCOC(=O)CC(=O)OCCCCC(O)CC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.43
NAAA Q02083 1/20 0.42
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 1/20 0.38
RAD52 P43351 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GPR84 Q9NQS5 4/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
EPHX1 P07099 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
TSHR P16473 1/20 0.35
ACHE P22303 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
SCHEMBL23926224 0.94 MGAM (0.43) FAAHNAAAMGAMGAASI
SCHEMBL22028555 0.89 HTR2C (0.46) NAAAL3MBTL1ALDH1A1FFAR4TSHR
SCHEMBL23926220 0.87 L3MBTL1 (0.50) NAAAL3MBTL1ALDH1A1FFAR4TSHR
SCHEMBL20772742 0.87 L3MBTL1 (0.47) NAAAL3MBTL1ALDH1A1TSHR
SCHEMBL23926218 0.87 FAAH (0.46) FAAHNAAAMGAMGAASI
SCHEMBL23926210 0.87 FAAH (0.50) FAAHNAAARAD52NPSR1GPR84
SCHEMBL23926209 0.86 MGAM (0.46) FAAHNAAAMGAMGAASI
SCHEMBL19814933 0.82 DGKA (0.44) NAAAL3MBTL1ALDH1A1FFAR4TSHR
SCHEMBL18968292 0.82 NAAA (0.42) FAAHNAAAL3MBTL1ALDH1A1RAD52
SCHEMBL18968322 0.82 NAAA (0.42) FAAHNAAAL3MBTL1ALDH1A1RAD52

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11155675-B2 Method of regioselective synthesis of polyesters from asymmetric diols VERSALIS S.P.A. (IT) 2021-10-26 US disclosed
CN-109689727-B Process for the regioselective synthesis of polyesters from asymmetric diols 维尔萨利斯股份公司 2020-12-01 CN disclosed