SCHEMBL24519732

SCHEMBL24519732

CC1(C)OC(O)Nc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.36
PDK2 Q15119 1/20 0.36
PDK4 Q16654 1/20 0.36
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
HTR2A P28223 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
GFER P55789 1/20 0.34
HTR5A P47898 1/20 0.33
POLB P06746 1/20 0.33
CHRNB2 P17787 1/20 0.33
SLC6A2 P23975 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 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
SCHEMBL5488314 0.69 PDK2 (0.38) PGRPDK2PDK4KMT2AALDH1A1
SCHEMBL18590880 0.66 ALDH1A1 (0.35) PDK2PDK4KMT2AALDH1A1LMNA
SCHEMBL25808797 0.66 PDK2 (0.35) PDK2PDK4KMT2AALDH1A1LMNA
SCHEMBL11729902 0.65 PDK2 (0.38) PGRPDK2PDK4KMT2AALDH1A1
SCHEMBL12629401 0.64 PDK2 (0.41) PDK2PDK4KMT2AALDH1A1HTR2A
SCHEMBL1316216 0.64 PDK2 (0.41) PDK2PDK4KMT2AALDH1A1HTR2A
SCHEMBL18463793 0.64 GAA (0.43) PDK2PDK4KMT2AALDH1A1LMNA
SCHEMBL22901475 0.63 PDK2 (0.36) PDK2PDK4KMT2AALDH1A1LMNA
SCHEMBL7662427 0.63 PDK2 (0.40) PDK2PDK4KMT2AALDH1A1GAA
SCHEMBL7662430 0.63 PDK2 (0.40) PDK2PDK4KMT2AALDH1A1GAA

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-3398940-B1 HIGH STRESS RESISTANT PLANT GROWTH REGULATOR AND PREPARATION METHOD AND USE THEREOF CAS CENTER FOR EXCELLENCE IN MOLECULAR PLANT SCIENCES (CN) 2022-06-22 EP disclosed