SCHEMBL9386609

SCHEMBL9386609

CC(C)OC(=O)N(C(N)=O)C(=O)OC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ALOX5 P09917 2/20 0.35
LMNA P02545 5/20 0.34
MAPT P10636 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CA12 O43570 3/20 0.30
CA1 P00915 3/20 0.30
CA2 P00918 3/20 0.30
CA7 P43166 3/20 0.30
CA9 Q16790 3/20 0.30

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
SCHEMBL22693822 0.76 TSHR (0.39) TSHRALOX5LMNAHCAR2HTT
SCHEMBL11807978 0.76 TSHR (0.39) TSHRALOX5LMNAHCAR2HTT
SCHEMBL195682 0.74 TSHR (0.46) TSHRLMNAHCAR2HTTNPSR1
SCHEMBL8385200 0.73 TSHR (0.36) TSHRLMNAMAPTHTTNPSR1
SCHEMBL12006067 0.72
Hydrochloric Acid SCHEMBL9744404 0.71 TSHR (0.44) TSHRLMNAHCAR2HTTNPSR1
SCHEMBL6244866 0.70
SCHEMBL8382323 0.70 CHRNB2 (0.34) TSHRLMNAHTTNPSR1
SCHEMBL10676074 0.70 TSHR (0.42) TSHRLMNAHCAR2HTTNPSR1
SCHEMBL8386796 0.70 TSHR (0.37) TSHRALOX5LMNAHCAR2HTT

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
WO-1994000593-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED AND OPTICALLY PURE 1-ARYLALKANOLS INSTITUT DE RECHERCHES CHIMIQUES ET BIOLOGIQUES APPLIQUEES (I.R.C.E.B.A.) (FR) 1994-01-06 WO disclosed