SCHEMBL29953963

SCHEMBL29953963

CCC(C)NC(=O)COc1ccc(OC)cc1C=O

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.80
RAB9A P51151 1/20 0.80
PTGS2 P35354 1/20 0.45
LMNA P02545 4/20 0.45
ALDH1A1 P00352 8/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 3/20 0.44
RXFP1 Q9HBX9 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ERN1 O75460 1/20 0.43
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
THRB P10828 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL29957481 0.91 RAB9A (0.66) KDM4ERAB9APTGS2LMNAALDH1A1
SCHEMBL2557701 0.89 KDM4E (0.78) KDM4ERAB9ALMNAALDH1A1KMT2A
SCHEMBL29956422 0.84 KDM4E (0.58) KDM4ERAB9ALMNAALDH1A1KMT2A
SCHEMBL29952430 0.83 RAB9A (0.72) KDM4ERAB9AALDH1A1KMT2AMEN1
SCHEMBL2554953 0.82 KDM4E (0.71) KDM4ERAB9AALDH1A1KMT2AMEN1
SCHEMBL15331114 0.82 KDM4E (0.67) KDM4ERAB9APTGS2LMNAALDH1A1
SCHEMBL29958222 0.81 PTGDR2 (0.56) KDM4ERAB9ALMNAALDH1A1KMT2A
SCHEMBL2554836 0.81 KDM4E (0.69) KDM4ERAB9AALDH1A1KMT2AMEN1
SCHEMBL2556788 0.80 RAB9A (0.64) KDM4ERAB9AALDH1A1KMT2AMEN1
SCHEMBL29957515 0.80 ALDH1A1 (0.62) KDM4ERAB9ALMNAALDH1A1MAPT

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