SCHEMBL29952391

SCHEMBL29952391

CCOc1ccc(C(C)=O)cc1CNCCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 5/20 0.51
HTT P42858 1/20 0.50
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
HPGD P15428 1/20 0.46
RAD52 P43351 1/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL29958267 0.90 CREBBP (0.54) CREBBPHTTALDH1A1KMT2AL3MBTL1
SCHEMBL29951914 0.87 HPGD (0.61) ALDH1A1KMT2AL3MBTL1MEN1HPGD
SCHEMBL3200442 0.80 ALDH1A1 (0.67) ALDH1A1KMT2AL3MBTL1MEN1CYP2D6
SCHEMBL29951085 0.80 HPGD (0.58) ALDH1A1KMT2AL3MBTL1MEN1HPGD
SCHEMBL29953750 0.77 CREBBP (0.55) CREBBPHTTALDH1A1KMT2AL3MBTL1
SCHEMBL23121294 0.76 HIF1A (0.58) ALDH1A1KMT2AMEN1HPGDKDM4E
SCHEMBL14667296 0.76 CREBBP (0.64) CREBBPHTTALDH1A1KMT2AL3MBTL1
SCHEMBL29951426 0.76 HPGD (0.60) ALDH1A1KMT2AL3MBTL1MEN1HPGD
SCHEMBL5119766 0.75 CREBBP (0.62) CREBBPHTTALDH1A1KMT2AL3MBTL1
SCHEMBL29952856 0.74 CREBBP (0.54) CREBBPHTTALDH1A1KMT2AL3MBTL1

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