SCHEMBL23926224

SCHEMBL23926224

CCC(O)CCCOC(=O)CC(=O)OCCCC(O)CC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
FAAH O00519 2/20 0.41
NAAA Q02083 1/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 2/20 0.36
DGKA P23743 1/20 0.35
RAD52 P43351 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GPR84 Q9NQS5 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
EPHX1 P07099 1/20 0.33

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
SCHEMBL23926211 0.94 FAAH (0.43) MGAMGAASIMGAM2FAAH
SCHEMBL19814933 0.88 DGKA (0.44) NAAAL3MBTL1ALDH1A1DGKAMEN1
SCHEMBL23926209 0.88 MGAM (0.46) MGAMGAASIMGAM2FAAH
SCHEMBL23926200 0.86 FAAH (0.43) MGAMGAASIMGAM2FAAH
SCHEMBL23926229 0.86 FAAH (0.47) MGAMGAASIMGAM2FAAH
SCHEMBL23926225 0.86 DGKA (0.52) L3MBTL1ALDH1A1DGKAMEN1KMT2A
SCHEMBL23926226 0.86 DGKA (0.47) NAAAL3MBTL1ALDH1A1DGKAMEN1
SCHEMBL27695705 0.83 ALDH1A1 (0.39) NAAACA1CA2ALDH1A1GPR84
SCHEMBL22028555 0.82 HTR2C (0.46) NAAAL3MBTL1ALDH1A1DGKAMEN1
SCHEMBL2957097 0.82 TSHR (0.46) MGAMGAASIMGAM2FAAH

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