SCHEMBL28690139

SCHEMBL28690139

C=CC(=O)OCCCCOC(=O)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
CYP3A4 P08684 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 1/20 0.48
THRB P10828 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
EPHX2 P34913 13/20 0.47
HPGD P15428 1/20 0.42
EPHX1 P07099 1/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL533667 0.79 EPHX2 (0.62) L3MBTL1EPHX2
SCHEMBL11247595 0.77 EPHX2 (0.58) ALDH1A1L3MBTL1LMNATHRBHTT
SCHEMBL18823423 0.77 TSHR (0.58) ALDH1A1TSHRCYP3A4L3MBTL1EPHX2
SCHEMBL20312889 0.76 ALDH1A1 (0.52) ALDH1A1TSHRCYP3A4L3MBTL1EPHX2
Acrylic Acid SCHEMBL31456574 0.75 LMNA (0.49) ALDH1A1L3MBTL1LMNATHRBHTT
SCHEMBL14644904 0.74 EPHX2 (0.57) ALDH1A1L3MBTL1LMNATHRBHTT
SCHEMBL10054238 0.72 MEN1 (0.54) ALDH1A1TSHRCYP3A4L3MBTL1LMNA
SCHEMBL12994583 0.72 L3MBTL1 (0.45) L3MBTL1EPHX2
SCHEMBL244114 0.72 TSHR (0.95) ALDH1A1TSHRCYP3A4THRBSMN1; SMN2
SCHEMBL3796052 0.72 L3MBTL1 (0.53) ALDH1A1L3MBTL1LMNATHRBHTT

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-114057929-B Voltage-resistant electrolyte-resistant termination tape and copolymer for same 佛山市顺德区永创翔亿电子材料有限公司 2023-01-20 CN disclosed
CN-114057929-A Voltage-resistant electrolyte-resistant termination tape and copolymer for same 佛山市顺德区永创翔亿电子材料有限公司 2022-02-18 CN disclosed