SCHEMBL24871014

SCHEMBL24871014

CC(C)(C)c1cc(CNCc2ccccn2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 6/20 0.41
NPSR1 Q6W5P4 3/20 0.41
POLB P06746 1/20 0.41
CHRM2 P08172 1/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
CCR5 P51681 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SMN1; SMN2 Q16637 2/20 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
SCHEMBL18695436 0.83 GAA (0.47) GAAMEN1KMT2AL3MBTL1KDM4E
SCHEMBL31043275 0.82 ALDH1A1 (0.47) GAAMEN1KMT2ACYP3A4CYP2C9
SCHEMBL20024584 0.81 GAA (0.52) GAAMEN1KMT2AKDM4ECYP3A4
SCHEMBL5707015 0.77 L3MBTL1 (0.50) KMT2AL3MBTL1KDM4ECYP3A4CYP2C19
SCHEMBL6053408 0.76 GSR (0.50) GAAMEN1KMT2ACYP3A4CYP2C9
SCHEMBL3977350 0.74 GAA (0.58) GAAMEN1KMT2AL3MBTL1KDM4E
SCHEMBL6053706 0.74 GSR (0.47) GAAKDM4ECYP3A4CYP2C9CYP2C19
SCHEMBL28039856 0.73 MAOB (0.49) GAAMEN1KMT2ACYP3A4CYP2C9
Bromide SCHEMBL2085161 0.73 GAA (0.57) GAAMEN1KMT2AL3MBTL1KDM4E
SCHEMBL7933905 0.73 GSR (0.62) GAAMEN1KMT2AKDM4ECYP3A4

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
WO-2023283473-A1 POLY(DIALKYL BETA-LACTONE) COMPOSITIONS, METHODS OF MAKING SAME AND USES THEREOF CORNELL UNIVERSITY (US) 2023-01-12 WO disclosed