SCHEMBL14479643

SCHEMBL14479643

COC(C)(C)C(=O)Nc1cccc(CO)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.41
GRM5 P41594 1/20 0.39
CHRNB2 P17787 2/20 0.39
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNA4 P43681 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MAPK8 P45983 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CCNK O75909 1/20 0.37
DDB1 Q16531 1/20 0.37
CDK12 Q9NYV4 1/20 0.37
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
MAP4K1 Q92918 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 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
SCHEMBL3925148 0.85 ADORA1 (0.44) NR3C2GRM5CHRNB2CHRNB4CHRNA3
SCHEMBL21742200 0.80 NR3C2 (0.46) NR3C2GRM5CHRNB2CHRNB4CHRNA3
SCHEMBL30396325 0.78 CCR2 (0.42) NR3C2GRM5CHRNB2CHRNB4CHRNA3
SCHEMBL465792 0.78 CCR2 (0.42) NR3C2GRM5CHRNB2CHRNB4CHRNA3
SCHEMBL27697741 0.77 KDM4E (0.57) NR3C2GRM5CHRNB2CHRNB4CHRNA3
SCHEMBL20416632 0.77 MEN1 (0.41) NR3C2GRM5CHRNB2CHRNB4CHRNA3
SCHEMBL124547 0.75 CYP1A2 (0.44) NR3C2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL465793 0.75 KMT2A (0.46) GRM5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL20935227 0.74 ALDH1A1 (0.49) GRM5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL17674541 0.73 PDE5A (0.42) NR3C2GRM5CHRNB2CHRNB4CHRNA3

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-2540716-B1 TETRAZOLYLOXIME DERIVATIVE OR A SALT THEREOF, AND GERMICIDE NIPPON SODA CO (JP) 2015-11-11 EP disclosed
EP-2540716-A1 TETRAZOLYLOXIME DERIVATIVE OR A SALT THEREOF, AND GERMICIDE Nippon Soda Co., Ltd. (JP) 2013-01-02 EP disclosed