SCHEMBL23926226

SCHEMBL23926226

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 1/20 0.42
DUSP3 P51452 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.41
DNM1 Q05193 1/20 0.40
HTR2C P28335 1/20 0.39
NAAA Q02083 1/20 0.38
CYP1A2 P05177 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38

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
SCHEMBL23926225 0.96 DGKA (0.52) DGKAL3MBTL1ALDH1A1CYP3A4TSHR
SCHEMBL20772742 0.94 L3MBTL1 (0.47) DGKAL3MBTL1ALDH1A1CYP3A4TSHR
SCHEMBL19814933 0.94 DGKA (0.44) DGKAL3MBTL1ALDH1A1CYP3A4TSHR
SCHEMBL23926220 0.91 L3MBTL1 (0.50) DGKAL3MBTL1ALDH1A1CYP3A4TSHR
SCHEMBL20772760 0.90 DGKA (0.48) DGKAL3MBTL1ALDH1A1CYP3A4TSHR
SCHEMBL536514 0.90 FFAR4 (0.50) DGKAL3MBTL1ALDH1A1CYP3A4TSHR
SCHEMBL18969564 0.90 DGKA (0.65) DGKAL3MBTL1ALDH1A1CYP3A4TSHR
SCHEMBL22028555 0.89 HTR2C (0.46) DGKAL3MBTL1ALDH1A1CYP3A4TSHR
SCHEMBL19815037 0.88 FFAR4 (0.49) DGKAL3MBTL1ALDH1A1CYP3A4TSHR
SCHEMBL18969547 0.88 DGKA (0.62) DGKAL3MBTL1ALDH1A1CYP3A4TSHR

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