SCHEMBL23199799

SCHEMBL23199799

CN(C)CC(=O)Oc1ccc2ccc3ccccc3c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.55
PDGFRA P16234 1/20 0.55
PRKCE Q02156 1/20 0.55
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SIRT5 Q9NXA8 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NCEH1 Q6PIU2 7/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL30924181 0.88 PDGFRB (0.64) PDGFRBPDGFRAPRKCETDP1L3MBTL1
SCHEMBL28010902 0.83 TDP1 (0.47) TDP1L3MBTL1SIRT5ALDH1A1KDM4E
SCHEMBL378787 0.83 ALDH1A1 (0.51) PDGFRBPDGFRATDP1L3MBTL1SIRT5
SCHEMBL15882797 0.82 PDGFRB (0.55) PDGFRBPDGFRATDP1L3MBTL1SIRT5
SCHEMBL31634147 0.81 SIRT5 (0.47) TDP1L3MBTL1SIRT5ALDH1A1KDM4E
SCHEMBL34462112 0.80 TDP1 (0.44) TDP1L3MBTL1SIRT5ALDH1A1KDM4E
SCHEMBL31482564 0.80 TDP1 (0.44) TDP1L3MBTL1SIRT5ALDH1A1KDM4E
SCHEMBL28010903 0.79 CYP1A2 (0.47) TDP1L3MBTL1SIRT5ALDH1A1KDM4E
SCHEMBL15882772 0.78 PDGFRB (0.49) PDGFRBPDGFRATDP1L3MBTL1ALDH1A1
SCHEMBL27497870 0.78 MAPT (0.50) PDGFRBPDGFRATDP1ALDH1A1KDM4E

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
EP-3801553-A2 PRODRUGS OF FULVESTRANT Kashiv Biosciences, LLC (US) 2021-04-14 EP disclosed