SCHEMBL29952474

SCHEMBL29952474

CC(=O)N[C@H](CC=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42

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
SCHEMBL29956325 1.00 KMT2A (0.49) KMT2ALMNASMN1; SMN2MTNR1AMTNR1B
SCHEMBL253718 0.86 ALDH1A1 (0.42) KMT2ALMNASMN1; SMN2ALDH1A1TSHR
SCHEMBL1273278 0.86 ALDH1A1 (0.42) KMT2ALMNASMN1; SMN2ALDH1A1TSHR
SCHEMBL4629199 0.85 CYP2C19 (0.53) KMT2ALMNASMN1; SMN2MTNR1AMTNR1B
SCHEMBL708352 0.83 GPR88 (0.45) KMT2ALMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL4020125 0.82 HDAC4 (0.44) MAPK1
SCHEMBL2786917 0.81 KDM4E (0.55) KMT2ALMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL186416 0.80 LMNA (0.61) KMT2ALMNASMN1; SMN2TDP1ALDH1A1
SCHEMBL8582093 0.80 RIPK1 (0.61) KMT2ALMNASMN1; SMN2MAPK1
SCHEMBL186230 0.80 LMNA (0.61) KMT2ALMNASMN1; SMN2TDP1ALDH1A1

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