SCHEMBL6812792

SCHEMBL6812792

Cc1cccc(CON2C(C)(C)CC(OC(=O)c3ccccc3)CC2(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
KMT2A Q03164 2/20 0.52
GAA P10253 2/20 0.48
CHRNA7 P36544 4/20 0.42
MAOB P27338 2/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
ESR1 P03372 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL7478103 0.90 TSHR (0.67) TSHRKMT2AGAACHRNA7HTT
SCHEMBL7483948 0.89 TSHR (0.59) TSHRKMT2AGAACHRNA7HTT
SCHEMBL9043360 0.82 TSHR (0.73) TSHRKMT2AGAACHRNA7HTT
SCHEMBL9244012 0.81 TSHR (0.61) TSHRKMT2AGAACHRNA7MAOB
SCHEMBL7475800 0.80 TSHR (0.53) TSHRKMT2AGAAHTTALDH1A1
SCHEMBL7476120 0.80 TSHR (0.70) TSHRKMT2AGAACHRNA7HTT
SCHEMBL7472992 0.79 TSHR (0.53) TSHRKMT2AGAACHRNA7MAOB
SCHEMBL6814269 0.79 IDO1 (0.44) KMT2AMAOB
SCHEMBL9040556 0.78 TSHR (0.67) TSHRKMT2AGAACHRNA7HTT
SCHEMBL6299616 0.78 TSHR (0.67) TSHRKMT2AGAACHRNA7HTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1121347-B1 PROCESS FOR THE SYNTHESIS OF 4-SUBSTITUTED N- (ALK-2- EN-1-YL)OXY]- AND N-ARALKYLOXY- 2,2,6,6- TETRAALKYLPIPERIDINES CIBA SC HOLDING AG (CH) 2004-07-07 EP disclosed
EP-1121347-A1 PROCESS FOR THE SYNTHESIS OF 4-SUBSTITUTED N- (ALK-2- EN-1-YL)OXY]- AND N-ARALKYLOXY- 2,2,6,6- TETRAALKYLPIPERIDINES Ciba Spezialitätenchemie Holding AG (Ciba Spécialités Chimiques Holding SA) (Ciba Specialty Chemicals Holding Inc.) (CH) 2001-08-08 EP disclosed
US-6211378-B1 OXIDATION OF N-H COMPOUND TO FORM N-OXYL DERIVATIVE, REACTING TWO EQUIVALENTS OF N-OXYL COMPOUND WITH ONE EQUIVALENT OF A COMPOUND HAVING AN ALLYLIC HYDROGEN, A BENZYLIC HYDROGEN OR AN ACTIVATED METHINE HYDROGEN TO FORM N-OH AND N-OR COMPOUNDS CIBA SPECIALTY CHEMICALS CORPORATION 2001-04-03 US disclosed
WO-2000021933-A1 PROCESS FOR THE SYNTHESIS OF 4-SUBSTITUTED N-[(ALK-2- EN-1-YL)OXY]- AND N-ARALKYLOXY- 2,2,6,6- TETRAALKYLPIPERIDINES CIBA SPECIALITY CHEMICALS HOLDING INC. (CH) 2000-04-20 WO disclosed