SCHEMBL28899062

SCHEMBL28899062

CC(C)OC(=O)C1CC(=O)CC1C(=O)OC(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
THRB P10828 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2D6 P10635 1/20 0.33
CA12 O43570 3/20 0.31
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CA7 P43166 3/20 0.31
CA9 Q16790 3/20 0.31
CA14 Q9ULX7 3/20 0.31

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
SCHEMBL28899064 0.92 POLB (0.35) POLBNPSR1TSHRSMN1; SMN2KDM4E
SCHEMBL21612668 0.83 TSHR (0.37) POLBNPSR1TSHRALDH1A1KDM4E
SCHEMBL10121177 0.79 TSHR (0.46) POLBNPSR1TSHRSMN1; SMN2ALDH1A1
SCHEMBL1297587 0.79 TSHR (0.46) POLBNPSR1TSHRSMN1; SMN2ALDH1A1
SCHEMBL2013269 0.78 KDM4E (0.34) TSHRSMN1; SMN2ALDH1A1KDM4EUSP2
SCHEMBL7858138 0.75 BRD4 (0.44) TSHRALDH1A1HSD17B10CYP2D6
SCHEMBL3048242 0.75 BRD4 (0.44) TSHRALDH1A1HSD17B10CYP2D6
SCHEMBL994649 0.75 BRD4 (0.44) TSHRALDH1A1HSD17B10CYP2D6
SCHEMBL2372196 0.75 BRD4 (0.44) TSHRALDH1A1HSD17B10CYP2D6
SCHEMBL15684230 0.75 BRD4 (0.44) TSHRALDH1A1HSD17B10CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115232058-A Synthesis method of gliclazide intermediate 1,2-cyclopentanedicarboxamide 上海巽田科技股份有限公司 2022-10-25 CN disclosed