SCHEMBL21597978

SCHEMBL21597978

COc1ccccc1OC(=O)[C@]1(C)OCO[C@@]1(C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
LIPE Q05469 1/20 0.38
RXRA P19793 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CA4 P22748 1/20 0.37
ATM Q13315 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 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
SCHEMBL21597974 0.78 NPC1 (0.43) POLBSMN1; SMN2HTTKMT2AMTNR1A
SCHEMBL5314872 0.77 ALDH1A1 (0.45) POLBSMN1; SMN2HTTKMT2AMTNR1A
SCHEMBL6450356 0.71 PDK2 (0.40) POLBSMN1; SMN2HTTKMT2AMTNR1A
SCHEMBL6450358 0.71 PDK2 (0.40) POLBSMN1; SMN2HTTKMT2AMTNR1A
1,2-Dimethoxybenzene SCHEMBL27470563 0.70 CA1 (0.68) POLBSMN1; SMN2HTTKMT2AMTNR1A
SCHEMBL21540 0.69 CA1 (0.59) POLBSMN1; SMN2HTTKMT2AL3MBTL1
SCHEMBL236191 0.69 CA12 (0.59) POLBSMN1; SMN2HTTKMT2ALMNA
SCHEMBL29655351 0.69 CA12 (0.59) POLBSMN1; SMN2HTTKMT2ALMNA
1,2-Dimethoxybenzene SCHEMBL28254682 0.68 CA1 (0.65) POLBSMN1; SMN2HTTKMT2AMTNR1A
1,2-Dimethoxybenzene SCHEMBL27679751 0.68 CA1 (0.72) POLBSMN1; SMN2HTTKMT2AL3MBTL1

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
WO-2019243576-A1 GLUCOSE-SENSITIVE PEPTIDE HORMONES GUBRA APS (DK) 2019-12-26 WO disclosed