SCHEMBL30529014

SCHEMBL30529014

CC(C)COC(=O)CCC(=O)OCC(C)C.[Na]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.48
ADRA2A P08913 1/20 0.46
ADRA1A P35348 1/20 0.46
MAPT P10636 2/20 0.45
BLM P54132 1/20 0.44
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
EPHX2 P34913 1/20 0.40
LMNA P02545 2/20 0.39
CYP3A4 P08684 1/20 0.39
ATM Q13315 1/20 0.39
KDM4E B2RXH2 1/20 0.38
DUSP3 P51452 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PRKCA P17252 1/20 0.36
PRKCE Q02156 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
SCHEMBL334176 0.97 TSHR (0.50) TSHRADRA2AADRA1AMAPTBLM
SCHEMBL27561555 0.95 TSHR (0.48) TSHRADRA2AADRA1AMAPTBLM
SCHEMBL846984 0.88 EGLN1 (0.45) TSHRMAPTALDH1A1POLBGAA
SCHEMBL27827275 0.88 CYP1A2 (0.48) TSHRMAPTALDH1A1POLBGAA
SCHEMBL1533356 0.88 TSHR (0.48) TSHRADRA2AADRA1AMAPTBLM
SCHEMBL3944331 0.88 TSHR (0.59) TSHRMAPTALDH1A1POLBGAA
Ethylenediamine SCHEMBL7702384 0.88 TSHR (0.43) TSHRADRA2AADRA1AMAPTBLM
SCHEMBL356035 0.87 MAPT (0.53) TSHRMAPTALDH1A1POLBGAA
SCHEMBL42941 0.87 MAPT (0.59) TSHRMAPTALDH1A1TDP1EPHX2
SCHEMBL19822814 0.86 LMNA (0.48) TSHRMAPTALDH1A1POLBGAA

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
CN-119615411-A Production process of circularly regenerated polylactic acid and low-temperature spandex fabric 深圳市娜尔思时装有限公司 2025-03-14 CN disclosed
CN-116448529-A Etching agent and display method of prior austenite grain boundary of quenched NiCrMoV steel 鞍钢集团北京研究院有限公司 2023-07-18 CN disclosed