SCHEMBL23926220

SCHEMBL23926220

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
DGKA P23743 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 1/20 0.45
DUSP3 P51452 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.45
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
MAPT P10636 1/20 0.43
DNM1 Q05193 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
FFAR1 O14842 1/20 0.42
NAAA Q02083 1/20 0.41

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
SCHEMBL20772742 0.96 L3MBTL1 (0.47) L3MBTL1DGKAALDH1A1CYP3A4TSHR
SCHEMBL23926225 0.94 DGKA (0.52) L3MBTL1DGKAALDH1A1CYP3A4TSHR
SCHEMBL22028555 0.94 HTR2C (0.46) L3MBTL1DGKAALDH1A1CYP3A4TSHR
SCHEMBL18968293 0.93 DGKA (0.62) L3MBTL1DGKAALDH1A1KDM4EDUSP3
SCHEMBL18969548 0.93 DGKA (0.62) L3MBTL1DGKAALDH1A1KDM4EDUSP3
SCHEMBL536981 0.93 FFAR4 (0.53) L3MBTL1DGKAALDH1A1CYP3A4TSHR
SCHEMBL18968401 0.93 DGKA (0.62) L3MBTL1DGKAALDH1A1KDM4EDUSP3
SCHEMBL18968294 0.93 DGKA (0.62) L3MBTL1DGKAALDH1A1KDM4EDUSP3
SCHEMBL18968312 0.91 DGKA (0.59) L3MBTL1DGKAALDH1A1CYP3A4TSHR
SCHEMBL18968382 0.91 DGKA (0.59) L3MBTL1DGKAALDH1A1CYP3A4TSHR

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