SCHEMBL29953044

SCHEMBL29953044

COc1ccc(OC(C)C(=O)NC2CC2)c(C=O)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.47
HPGD P15428 1/20 0.47
KDM4E B2RXH2 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
ERN1 O75460 2/20 0.43
PTGS2 P35354 1/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
CASP6 P55212 1/20 0.40

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
SCHEMBL29955473 0.91 ALDH1A1 (0.50) SMYD3HPGDKDM4EMAPTERN1
SCHEMBL15331013 0.84 HPGD (0.52) HPGDKDM4EL3MBTL1KMT2AALDH1A1
SCHEMBL15331368 0.84 KDM4E (0.50) KDM4ERAB9AMAPTERN1PTGS2
SCHEMBL2560950 0.83 KDM4E (0.52) KDM4ERAB9AMAPTERN1PTGS2
SCHEMBL29954062 0.81 HPGD (0.62) HPGDKDM4EMAPTKMT2AHTT
SCHEMBL2557934 0.81 KDM4E (0.47) KDM4ERAB9AMAPTERN1KMT2A
SCHEMBL29953839 0.81 SMN1; SMN2 (0.53) HPGDKDM4ERAB9AERN1ALDH1A1
SCHEMBL29956939 0.80 ALDH1A1 (0.50) HPGDKDM4EMAPTKMT2AALDH1A1
SCHEMBL29951341 0.80 ALDH1A1 (0.50) HPGDKDM4EMAPTKMT2AALDH1A1
SCHEMBL5561673 0.79 ERN1 (0.51) KDM4ERAB9AERN1PTGS2KMT2A

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