SCHEMBL21834515

SCHEMBL21834515

CC[C@H]1C(=O)CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PARP1 P09874 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.38
UCHL1 P09936 1/20 0.37
CTSK P43235 1/20 0.37

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
SCHEMBL21818930 1.00 ATM (0.42) ATMALDH1A1HSD17B10MEN1KMT2A
SCHEMBL19078479 0.91 ATM (0.41) ATMALDH1A1HSD17B10MEN1KMT2A
SCHEMBL25765744 0.83 ATM (0.38) ATMALDH1A1HSD17B10MEN1KMT2A
SCHEMBL6536207 0.82 ALDH1A1 (0.40) ATMALDH1A1HSD17B10MEN1KMT2A
SCHEMBL25230409 0.80 ALDH1A1 (0.42) ATMALDH1A1HSD17B10MEN1KMT2A
SCHEMBL973127 0.80 KLK7 (0.49) PARP1UCHL1
SCHEMBL3805159 0.80 HSD17B10 (0.42) ATMALDH1A1HSD17B10NPC1UCHL1
SCHEMBL4766170 0.80 HSD17B10 (0.42) ATMALDH1A1HSD17B10NPC1UCHL1
Acetic Acid SCHEMBL11305411 0.79 CYP2D6 (0.38) ATMALDH1A1KMT2AL3MBTL1
SCHEMBL31603663 0.78 MEN1 (0.42) ATMALDH1A1HSD17B10MEN1KMT2A

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
EP-3856178-A1 MONOACYLGLYCEROL LIPASE MODULATORS Janssen Pharmaceutica NV (BE) 2021-08-04 EP disclosed
WO-2020065613-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed