SCHEMBL6875358

SCHEMBL6875358

CCC1(CC)CC2(CC(C)(C)N1OC(C)c1ccc(OCC3CO3)cc1)OCC(C(=O)O)(C(=O)O)CO2

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.33
GRM2 Q14416 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TP53 P04637 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
TSHR P16473 2/20 0.32
ALDH1A1 P00352 2/20 0.32
PKM P14618 2/20 0.32
CYP1A2 P05177 1/20 0.32
PPARG P37231 1/20 0.32
HIF1A Q16665 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
ACACB O00763 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
SCHEMBL6871203 0.94 GRM2 (0.33) FFAR1GRM2TDP1MEN1KMT2A
SCHEMBL6874267 0.93 TDP1 (0.36) FFAR1GRM2TDP1MEN1KMT2A
SCHEMBL977671 0.91 MAPT (0.32) FFAR1GRM2MEN1KMT2ATP53
SCHEMBL976517 0.90 TP53 (0.34) GRM2TDP1MEN1KMT2ATP53
SCHEMBL974403 0.89 TP53 (0.35) GRM2TDP1MEN1KMT2ATP53
SCHEMBL12922168 0.89 TP53 (0.35) GRM2TDP1MEN1KMT2ATP53
SCHEMBL977642 0.89 TP53 (0.36) GRM2TDP1MEN1KMT2ATP53
SCHEMBL6864703 0.89 ACACB (0.32) GRM2MEN1KMT2ATP53MAPT
SCHEMBL975037 0.89 TP53 (0.34) GRM2TDP1MEN1KMT2ATP53
SCHEMBL975071 0.88 PKM (0.32) GRM2MEN1KMT2ATP53MAPT

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-1341763-B1 N-ALKOXY-4,4-DIOXY-POLYALKYL-PIPERIDINE COMPOUNDS, WITH GLYCIDYL OR ALKYLCARBONYL GROUPS AS FUNCTIONAL INITIATORS FOR CONTROLLED RADICAL POLYMERIZATION CIBA SC HOLDING AG (CH) 2004-06-16 EP claimed