SCHEMBL29953899

SCHEMBL29953899

O=Cc1ccc(OCC(=O)NCC2CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 1/20 0.56
FAAH O00519 6/20 0.54
ACHE P22303 6/20 0.54
BCHE P06276 3/20 0.51
KDM4E B2RXH2 1/20 0.50
HSD17B10 Q99714 1/20 0.47
HPGD P15428 1/20 0.46

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
SCHEMBL29950838 0.84 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2LMNAFAAHACHE
SCHEMBL2557217 0.81 HSD17B10 (0.74) ALDH1A1SMN1; SMN2LMNAKDM4EHSD17B10
SCHEMBL7390502 0.80 ACACB (0.51) ALDH1A1HPGD
SCHEMBL29952903 0.79 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL2553344 0.79 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2LMNAFAAHACHE
SCHEMBL6538870 0.79 RAB9A (0.63) ALDH1A1SMN1; SMN2LMNAKDM4EHPGD
SCHEMBL29954636 0.78 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2LMNAKDM4EHPGD
SCHEMBL29953203 0.78 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2LMNAKDM4EHPGD
SCHEMBL29952142 0.77 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2LMNA
SCHEMBL2559279 0.77 FAAH (0.52) ALDH1A1SMN1; SMN2LMNAFAAHACHE

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed