SCHEMBL29951791

SCHEMBL29951791

COC(=O)c1c[nH]c(C)c1C=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 12/20 0.47
CREBBP Q92793 1/20 0.47
MAPT P10636 1/20 0.41
MAP2K1 Q02750 1/20 0.41
HTT P42858 1/20 0.41
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL15332595 0.83 SMN1; SMN2 (0.54) MAPTTSHRALDH1A1RAB9ASMN1; SMN2
SCHEMBL9400147 0.77 NR4A2 (0.49) NR4A2CREBBPMAPTMAP2K1HTT
SCHEMBL21027878 0.77 NR4A2 (0.40) NR4A2CREBBPMAPTMAP2K1HTT
SCHEMBL9923472 0.72 AXL (0.43) NR4A2CREBBPMAP2K1
SCHEMBL25296768 0.71 MAPT (0.49) NR4A2MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL754468 0.70 MAPT (0.47) NR4A2CREBBPMAPTMAP2K1HTT
SCHEMBL28984396 0.69 LMNA (0.53) MAPTPIM1PIM3TSHRALDH1A1
SCHEMBL4804422 0.68 SMN1; SMN2 (0.68) NR4A2MAPTHTTTSHRALDH1A1
SCHEMBL4046793 0.68 NR4A2 (0.47) NR4A2CREBBPMAP2K1
SCHEMBL8857892 0.68 NR4A2 (0.41) NR4A2CREBBPMAP2K1PIM1PIM3

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