SCHEMBL7147323

SCHEMBL7147323

CCC1(CC)CC2(CC(C)(C)N1OC(C)c1ccccc1)OCC(C(=O)O)(C(=O)O)CO2

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CHRM1 P11229 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
LTB4R Q15722 1/20 0.30
LTB4R2 Q9NPC1 1/20 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
SCHEMBL4985817 0.92 TSHR (0.33) TSHRALDH1A1L3MBTL1LTB4RLTB4R2
SCHEMBL4989206 0.90 TSHR (0.37) TSHRALDH1A1L3MBTL1LMNA
SCHEMBL4982916 0.89 POLB (0.34) LMNAMAPK1
SCHEMBL13715791 0.88
SCHEMBL4980627 0.88
SCHEMBL4983417 0.87
SCHEMBL4987724 0.87 MEN1 (0.32) TSHRALDH1A1L3MBTL1
SCHEMBL4987185 0.87
SCHEMBL4985199 0.86 ALDH1A1 (0.31) TSHRALDH1A1L3MBTL1
SCHEMBL4985644 0.86 ALDH1A1 (0.34) TSHRALDH1A1L3MBTL1CHRM1LMNA

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-1343827-A1 N-ALKOXY-4,4-DIOXY-POLYALKYL-PIPERIDINE COMPOUNDS, THEIR CORRESPONDING N-OXIDES AND CONTROLLED RADICAL POLYMERIZATION THEREWITH Ciba SC Holding AG (CH) 2003-09-17 EP claimed
WO-2002048205-A1 N-ALKOXY-4,4-DIOXY-POLYALKYL-PIPERIDINE COMPOUNDS, THEIR CORRESPONDING N-OXIDES AND CONTROLLED RADICAL POLYMERIZATION THEREWITH CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-06-20 WO claimed