SCHEMBL29952142

SCHEMBL29952142

O=Cc1ccc(OCC(=O)NC2CCCC2)cc1

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.81
KMT2A Q03164 4/20 0.65
L3MBTL1 Q9Y468 1/20 0.64
LMNA P02545 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
MEN1 O00255 2/20 0.62
ATF4 P18848 1/20 0.61
HTT P42858 1/20 0.61
POLB P06746 1/20 0.59

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
SCHEMBL29955306 0.99 ALDH1A1 (0.83) ALDH1A1KMT2AL3MBTL1LMNASMN1; SMN2
SCHEMBL29956853 0.99 ALDH1A1 (0.83) ALDH1A1KMT2AL3MBTL1LMNASMN1; SMN2
SCHEMBL29952903 0.94 ALDH1A1 (0.71) ALDH1A1KMT2AL3MBTL1LMNASMN1; SMN2
SCHEMBL2556699 0.88 ALDH1A1 (0.64) ALDH1A1KMT2AL3MBTL1LMNASMN1; SMN2
SCHEMBL29953623 0.84 SMN1; SMN2 (0.67) ALDH1A1KMT2AL3MBTL1LMNASMN1; SMN2
SCHEMBL29958458 0.83 SMN1; SMN2 (0.70) ALDH1A1KMT2ALMNASMN1; SMN2MEN1
SCHEMBL2555948 0.83 ALDH1A1 (0.64) ALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL19538657 0.82 KMT2A (0.72) ALDH1A1KMT2AL3MBTL1LMNASMN1; SMN2
SCHEMBL19255254 0.82 KMT2A (0.68) ALDH1A1KMT2AL3MBTL1LMNASMN1; SMN2
SCHEMBL25893880 0.82 KMT2A (0.69) ALDH1A1KMT2AL3MBTL1LMNASMN1; SMN2

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