SCHEMBL28624832

SCHEMBL28624832

C=CCOC(=O)C1CC(=O)O1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.37
TSHR P16473 5/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
TP53 P04637 1/20 0.34
ERN1 O75460 1/20 0.34
GAA P10253 2/20 0.34
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP19A1 P11511 1/20 0.32
MAPT P10636 2/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32

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
SCHEMBL18166942 0.78 TSHR (0.38) CYP3A4TSHRPOLBMAPK1TP53
SCHEMBL1580236 0.77
SCHEMBL5861898 0.77 CYP3A4 (0.33) CYP3A4TSHRPOLBMAPK1TP53
SCHEMBL11566951 0.76 MAOB (0.43) CYP3A4MAPK1NPSR1ALDH1A1HSD17B10
SCHEMBL28443036 0.76 ALDH1A1 (0.36) CYP3A4TSHRPOLBMAPK1TP53
SCHEMBL4033195 0.74 CYP3A4 (0.39) CYP3A4TSHRPOLBMAPK1TP53
SCHEMBL27814476 0.74 ALDH1A1 (0.36) CYP3A4TSHRPOLBMAPK1TP53
SCHEMBL18166954 0.74 CYP3A4 (0.39) CYP3A4TSHRPOLBMAPK1TP53
SCHEMBL9644780 0.71 CYP3A4 (0.37) CYP3A4TSHRPOLBMAPK1TP53
SCHEMBL7576590 0.70 GAA (0.59) TSHRPOLBGAASMN1; SMN2L3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113388075-B Composition for 3D printing, 3D printing method and device 珠海赛纳三维科技有限公司 2023-03-24 CN claimed
CN-113388075-A Composition for 3D printing, 3D printing method and device 珠海赛纳三维科技有限公司 2021-09-14 CN claimed
CN-113388075-B Composition for 3D printing, 3D printing method and device 珠海赛纳三维科技有限公司 2023-03-24 CN disclosed
CN-113388075-A Composition for 3D printing, 3D printing method and device 珠海赛纳三维科技有限公司 2021-09-14 CN disclosed