SCHEMBL17970089

SCHEMBL17970089

O=C1C2CC=CC[C@H]2C(=O)N1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TP53 P04637 2/20 0.47
HPGD P15428 2/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
HIF1A Q16665 1/20 0.47
CA9 Q16790 3/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
NPSR1 Q6W5P4 2/20 0.45
TDP1 Q9NUW8 4/20 0.44
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL16607543 1.00 ALDH1A1 (0.47) ALDH1A1LMNATSHRKMT2AHSD17B10
SCHEMBL41953 1.00 ALDH1A1 (0.47) ALDH1A1LMNATSHRKMT2AHSD17B10
SCHEMBL2661927 0.74 NPSR1 (0.50) ALDH1A1LMNATSHRKMT2AHSD17B10
SCHEMBL21449886 0.74 ALDH1A1 (0.47) ALDH1A1LMNATSHRKMT2AHSD17B10
SCHEMBL676110 0.74 NPSR1 (0.50) ALDH1A1LMNATSHRKMT2AHSD17B10
SCHEMBL3108916 0.74 ALDH1A1 (0.47) ALDH1A1LMNATSHRKMT2AHSD17B10
SCHEMBL8249002 0.74 ALDH1A1 (0.39) ALDH1A1LMNATSHRKMT2AHSD17B10
SCHEMBL8620015 0.73 ALDH1A1 (0.53) ALDH1A1LMNATSHRKMT2AHSD17B10
SCHEMBL17532418 0.72 ALDH1A1 (0.57) ALDH1A1LMNATSHRKMT2AHSD17B10
SCHEMBL13169805 0.72 CA9 (0.44) ALDH1A1LMNATSHRKMT2AHSD17B10

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
EP-3050883-A1 PRODUCTION METHOD FOR DIAZABICYCLOOCTANE DERIVATIVE AND INTERMEDIARY BODY THEREOF Meiji Seika Pharma Co., Ltd. (JP) 2016-08-03 EP disclosed