SCHEMBL25937263

SCHEMBL25937263

CC(C)(C)OC(=O)NCC(=O)N1CC(=O)Nc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.60
POLB P06746 1/20 0.60
KDM4E B2RXH2 4/20 0.58
CASP3 P42574 1/20 0.57
CASP2 P42575 1/20 0.57
HPGD P15428 1/20 0.57
KMT2A Q03164 4/20 0.54
MEN1 O00255 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TSHR P16473 1/20 0.53
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
PKM P14618 1/20 0.51

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
SCHEMBL30557526 1.00 ALDH1A1 (0.60) ALDH1A1POLBKDM4ECASP3CASP2
SCHEMBL25937359 0.89 DDB1 (0.48) ALDH1A1POLBKDM4ECASP3CASP2
SCHEMBL25429434 0.82 ALDH1A1 (0.71) ALDH1A1POLBKDM4ECASP3CASP2
SCHEMBL7997935 0.80 SMN1; SMN2 (0.61) ALDH1A1CASP3CASP2KMT2AMEN1
SCHEMBL24335866 0.75 CASP3 (0.72) ALDH1A1POLBKDM4ECASP3CASP2
SCHEMBL25430532 0.75 CASP3 (0.76) ALDH1A1KDM4ECASP3CASP2KMT2A
SCHEMBL24335860 0.74 TSHR (0.68) ALDH1A1POLBKDM4ECASP3CASP2
SCHEMBL29580481 0.74 TSHR (0.68) ALDH1A1POLBKDM4ECASP3CASP2
SCHEMBL30557602 0.74 NOTUM (0.56) ALDH1A1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL11035331 0.73 CASP3 (1.00) ALDH1A1POLBKDM4ECASP3CASP2

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-2023144793-A1 POL THETA INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-08-03 WO disclosed