SCHEMBL6046252

SCHEMBL6046252

COC(=O)CC(C)c1ccc(I)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
RAB9A P51151 1/20 0.45
ACHE P22303 1/20 0.42
ACACB O00763 1/20 0.41
ALDH1A1 P00352 4/20 0.41
HTT P42858 3/20 0.41
HPGD P15428 1/20 0.40
KCNA5 P22460 1/20 0.39
FFAR1 O14842 2/20 0.39
TSHR P16473 1/20 0.39
STAT3 P40763 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SLC6A3 Q01959 1/20 0.38
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38

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
SCHEMBL17875268 0.84 ACHE (0.61) MAPTRAB9AACHEALDH1A1HTT
SCHEMBL14567176 0.84 ESR1 (0.48) MAPTRAB9AACHEALDH1A1HTT
SCHEMBL2881396 0.84 ESR1 (0.48) MAPTRAB9AACHEALDH1A1HTT
SCHEMBL13140497 0.84 ESR1 (0.48) MAPTRAB9AACHEALDH1A1HTT
SCHEMBL17754960 0.84 RAB9A (0.51) MAPTRAB9AACACBALDH1A1HTT
SCHEMBL31615146 0.83 ALDH1A1 (0.44) MAPTACHEALDH1A1HTTFFAR1
SCHEMBL12744760 0.82 ALDH1A1 (0.59) MAPTRAB9AACHEALDH1A1HTT
SCHEMBL12268175 0.82 ALDH1A1 (0.59) MAPTRAB9AACHEALDH1A1HTT
SCHEMBL502093 0.82 ALDH1A1 (0.49) MAPTRAB9AACHEALDH1A1HTT
SCHEMBL17451233 0.82 ALDH1A1 (0.59) MAPTRAB9AACHEALDH1A1HTT

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
US-20060159681-A1 Compositions and methods to inhibit cell loss by using inhibitors of BAG FUNCTIONAL NEUROSCIENCE INC. (CA) 2006-07-20 US disclosed