SCHEMBL15330935

SCHEMBL15330935

CNC(=O)C(C)n1c(C)cc(C=O)c1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 16/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
POLB P06746 7/20 0.40
L3MBTL1 Q9Y468 5/20 0.40
CTDSP1 Q9GZU7 3/20 0.40
KDM4E B2RXH2 3/20 0.40
CASP6 P55212 2/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 4/20 0.38
RAB9A P51151 2/20 0.38
TDP1 Q9NUW8 4/20 0.37
APEX1 P27695 3/20 0.37
ALOX12 P18054 1/20 0.36
NSD2 O96028 1/20 0.35
PKM P14618 1/20 0.35
CASP3 P42574 1/20 0.35
RECQL P46063 1/20 0.35
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL2557989 0.84 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2POLBL3MBTL1CTDSP1
SCHEMBL2561259 0.81 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2POLBL3MBTL1CTDSP1
SCHEMBL2559607 0.81 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2POLBL3MBTL1CTDSP1
SCHEMBL11494573 0.71 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2HTTLMNARAB9A
SCHEMBL2551652 0.68 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2POLBL3MBTL1CTDSP1
SCHEMBL2558523 0.67 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2POLBL3MBTL1CTDSP1
SCHEMBL24553547 0.67 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2POLBL3MBTL1CTDSP1
SCHEMBL24553546 0.67 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2POLBL3MBTL1CTDSP1
SCHEMBL11847514 0.64 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2POLBL3MBTL1CTDSP1
SCHEMBL2560617 0.64 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2POLBL3MBTL1CTDSP1

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 5 patents. 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
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed