SCHEMBL29951085

SCHEMBL29951085

COc1ccc(C(C)=O)cc1CNCCCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.58
ALDH1A1 P00352 4/20 0.54
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
POLB P06746 1/20 0.49
ADRB2 P07550 1/20 0.48
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 1/20 0.46
BCHE P06276 1/20 0.45
CHRM2 P08172 1/20 0.45
ACHE P22303 1/20 0.45
HIF1A Q16665 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
SCHEMBL29951914 0.92 HPGD (0.61) HPGDALDH1A1MEN1KMT2APOLB
SCHEMBL29951426 0.87 HPGD (0.60) HPGDALDH1A1MEN1KMT2APOLB
SCHEMBL23121294 0.82 HIF1A (0.58) HPGDALDH1A1MEN1KMT2APOLB
SCHEMBL29952391 0.80 CREBBP (0.51) HPGDALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL8644052 0.76 ALDH1A1 (0.61) HPGDALDH1A1MEN1KMT2APOLB
SCHEMBL29954367 0.76 ALDH1A1 (0.66) HPGDALDH1A1MEN1KMT2AADRB2
SCHEMBL7093110 0.76 ALDH1A1 (0.67) HPGDALDH1A1MEN1KMT2APOLB
SCHEMBL24021265 0.75 POLB (0.70) MEN1KMT2APOLBGAA
SCHEMBL2553169 0.74 KMT2A (0.63) HPGDALDH1A1MEN1KMT2APOLB
SCHEMBL6342125 0.74 ALDH1A1 (0.71) HPGDALDH1A1MEN1KMT2APOLB

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