SCHEMBL29580481

SCHEMBL29580481

CC(=O)NCCC(=O)N1CC(=O)Nc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.68
CASP3 P42574 1/20 0.66
CASP2 P42575 1/20 0.66
ALDH1A1 P00352 5/20 0.57
KMT2A Q03164 4/20 0.57
KDM4E B2RXH2 2/20 0.57
POLB P06746 1/20 0.55
MEN1 O00255 2/20 0.54
HTT P42858 1/20 0.53
HPGD P15428 2/20 0.53
USP2 O75604 1/20 0.53
MAPT P10636 1/20 0.53
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
PKM P14618 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52

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
SCHEMBL24335860 1.00 TSHR (0.68) TSHRCASP3CASP2ALDH1A1KMT2A
SCHEMBL24335167 0.86 CASP3 (0.64) TSHRCASP3CASP2ALDH1A1KMT2A
SCHEMBL29579865 0.86 CASP3 (0.64) TSHRCASP3CASP2ALDH1A1KMT2A
SCHEMBL24335142 0.82 CASP3 (0.66) TSHRCASP3CASP2ALDH1A1KMT2A
SCHEMBL24335274 0.81 CASP3 (0.72) TSHRCASP3CASP2ALDH1A1KMT2A
SCHEMBL30516491 0.81 CASP3 (0.72) TSHRCASP3CASP2ALDH1A1KMT2A
SCHEMBL24335146 0.81 CASP3 (0.72) TSHRCASP3CASP2ALDH1A1KMT2A
SCHEMBL30516492 0.80 CASP3 (0.70) TSHRCASP3CASP2ALDH1A1KMT2A
SCHEMBL29064837 0.80 CASP3 (0.70) TSHRCASP3CASP2ALDH1A1KMT2A
SCHEMBL24335248 0.80 CASP3 (0.62) TSHRCASP3CASP2ALDH1A1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4232438-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE The Governors of the University of Alberta (CA) 2023-08-30 EP disclosed
CN-116528867-A Compounds for the treatment of Alzheimer's disease 艾伯塔大学理事会 2023-08-01 CN disclosed
WO-2022082305-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2022-04-28 WO disclosed