SCHEMBL9312962

SCHEMBL9312962

CCC1CC(OC2CCCCO2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.40
ALDH1A1 P00352 3/20 0.35
PARP1 P09874 1/20 0.34
OPRK1 P41145 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDE8B O95263 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RECQL P46063 1/20 0.33
EPHX1 P07099 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL10323879 0.91 ATM (0.38) ATMALDH1A1PARP1OPRK1MEN1
SCHEMBL10323472 0.87 ATM (0.36) ATMALDH1A1PARP1OPRK1PDE8B
SCHEMBL9313102 0.85 GPR119 (0.37) ATMALDH1A1OPRK1HSD17B10RECQL
SCHEMBL9313113 0.85 GPR119 (0.37) ATMALDH1A1OPRK1HSD17B10RECQL
SCHEMBL9313107 0.85 GPR119 (0.37) ATMALDH1A1OPRK1HSD17B10RECQL
SCHEMBL10325159 0.81 HSD17B10 (0.37) ALDH1A1MEN1KMT2AL3MBTL1HSD17B10
SCHEMBL13577617 0.81 NR1H2 (0.38) ATMALDH1A1OPRK1MEN1KMT2A
SCHEMBL19942887 0.81 NR1H2 (0.38) ATMALDH1A1OPRK1MEN1KMT2A
SCHEMBL376323 0.81 NR1H2 (0.38) ATMALDH1A1OPRK1MEN1KMT2A
SCHEMBL15273386 0.81 NR1H2 (0.38) ATMALDH1A1OPRK1MEN1KMT2A

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
US-5322852-A Antitumor, antiprotozoa agents CIBA-GEIGY CORP. (US) 1994-06-21 US disclosed
EP-0558443-A1 O-Piperidyl-(3/4)-hydroxylamines and O-piperidyl-(3/4)-alkyl-hydroxylamines and their use as ornithine decarboxylase inhibitors CIBA-GEIGY AG (CH) 1993-09-01 EP disclosed