SCHEMBL6818225

SCHEMBL6818225

Cc1ccc(CON2C(C)(C)CC(O)CC2(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AGXT P21549 2/20 0.38
MMP1 P03956 1/20 0.36
MMP13 P45452 1/20 0.36
ADAM17 P78536 1/20 0.36
GBA1 P04062 2/20 0.35
NAAA Q02083 2/20 0.35
KMT2A Q03164 2/20 0.34
TRPA1 O75762 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33
MAOB P27338 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
SCHEMBL6814269 0.82 IDO1 (0.44) MMP1MMP13ADAM17GBA1KMT2A
SCHEMBL9039574 0.76 KMT2A (0.41) MMP1MMP13ADAM17GBA1KMT2A
SCHEMBL11592943 0.76 GBA1 (0.41) GBA1KMT2ANPC1RAB9AALDH1A1
SCHEMBL9042599 0.75 KMT2A (0.33) KMT2AGAA
SCHEMBL4985361 0.71 DHFR (0.41) KMT2AALDH1A1GAA
SCHEMBL5065428 0.71 IDO1 (0.41) AGXTKMT2AGAAMAOB
SCHEMBL565192 0.70 GAA (0.31) KMT2AGAA
SCHEMBL6502736 0.70 CYP2D6 (0.37) KMT2ARAB9AHRH3ALDH1A1GAA
SCHEMBL5067477 0.70 ALDH1A1 (0.45) AGXTALDH1A1
SCHEMBL17351108 0.69 ALDH1A1 (0.44) KMT2AHRH3ALDH1A1

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