SCHEMBL23926237

SCHEMBL23926237

CC(O)CCOC(=O)CCCC(=O)OCCC(C)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
DGKA P23743 1/20 0.47
ADRA2A P08913 1/20 0.45
ADRA1A P35348 1/20 0.45
BLM P54132 1/20 0.43
TSHR P16473 3/20 0.41
DNM1 Q05193 1/20 0.39
CYP3A4 P08684 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP19A1 P11511 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
DUSP3 P51452 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.36

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
SCHEMBL12076454 0.96 MAPT (0.53) MAPTDGKAADRA2AADRA1ABLM
SCHEMBL22028559 0.91 ADRA2A (0.54) MAPTDGKAADRA2AADRA1ABLM
SCHEMBL10583483 0.90 MAPT (0.44) MAPTDGKAADRA2AADRA1ABLM
SCHEMBL20775329 0.89 MAPT (0.47) MAPTDGKAADRA2AADRA1ABLM
SCHEMBL1258235 0.88 MAPT (0.47) MAPTDGKAADRA2AADRA1ATSHR
SCHEMBL10512716 0.88 MAPT (0.66) MAPTDGKATSHRDNM1CYP3A4
SCHEMBL19815012 0.88 MAPT (0.46) MAPTDGKAADRA2AADRA1ABLM
SCHEMBL963696 0.87 MAPT (0.50) MAPTDGKATSHRDNM1TDP1
SCHEMBL8730928 0.87 DGKA (0.69) MAPTDGKATSHRDNM1ALDH1A1
SCHEMBL10781722 0.87 MAPT (0.59) MAPTDGKATSHRDNM1CYP3A4

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