SCHEMBL29952949

SCHEMBL29952949

O=Cc1ccccc1OCC(=O)NC1CC1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.66
SMN1; SMN2 Q16637 3/20 0.60
HTT P42858 3/20 0.59
KMT2A Q03164 2/20 0.59
LMNA P02545 2/20 0.59
PTGDR2 Q9Y5Y4 1/20 0.59
ALDH1A1 P00352 4/20 0.58
TSHR P16473 2/20 0.58
HSD17B10 Q99714 1/20 0.58
MEN1 O00255 1/20 0.58
RAB9A P51151 2/20 0.53
NPC1 O15118 2/20 0.50
KDM4E B2RXH2 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
ATF4 P18848 1/20 0.50

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
SCHEMBL29956687 0.94 HPGD (0.67) HPGDSMN1; SMN2HTTKMT2ALMNA
SCHEMBL29952732 0.93 ALDH1A1 (0.68) HPGDSMN1; SMN2HTTKMT2ALMNA
SCHEMBL2556239 0.91 HPGD (0.55) HPGDSMN1; SMN2HTTKMT2ALMNA
SCHEMBL29957558 0.87 HPGD (0.54) HPGDSMN1; SMN2HTTKMT2ALMNA
SCHEMBL29950864 0.82 ALDH1A1 (0.57) HPGDSMN1; SMN2KMT2ALMNAALDH1A1
SCHEMBL15332063 0.81 SMN1; SMN2 (0.65) HPGDSMN1; SMN2HTTKMT2ALMNA
SCHEMBL2561106 0.81 NPC1 (0.69) HPGDSMN1; SMN2KMT2ALMNAALDH1A1
SCHEMBL29951679 0.81 HPGD (0.50) HPGDSMN1; SMN2HTTKMT2ALMNA
SCHEMBL29952950 0.81 HPGD (0.60) HPGDSMN1; SMN2HTTLMNAPTGDR2
SCHEMBL29952717 0.79 KDM4E (0.64) HPGDSMN1; SMN2HTTKMT2ALMNA

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