SCHEMBL20196302

SCHEMBL20196302

CNCC(=O)Nc1ccc(COC(C)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
ALDH1A1 P00352 2/20 0.50
MAPT P10636 5/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
RAB9A P51151 2/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HPGD P15428 2/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 1/20 0.43
LTA4H P09960 1/20 0.42
POLB P06746 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL22783852 0.94 CA1 (0.47) CA1CA2ALDH1A1MAPTKMT2A
SCHEMBL21335944 0.86 CA1 (0.50) CA1CA2ALDH1A1MAPTKMT2A
SCHEMBL19075835 0.84 KMT2A (0.62) CA1CA2ALDH1A1MAPTKMT2A
SCHEMBL23567648 0.84 CA1 (0.54) CA1CA2ALDH1A1MAPTKMT2A
SCHEMBL19703283 0.84 ALDH1A1 (0.46) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL19154503 0.82 LTA4H (0.63) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL2968894 0.82 MEN1 (0.63) CA1CA2ALDH1A1MAPTKMT2A
SCHEMBL13411545 0.81 ALDH1A1 (0.53) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL14274966 0.80 ALDH1A1 (0.49) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL14274945 0.80 S1PR4 (0.45) CA1CA2ALDH1A1HPGDLMNA

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-4233909-A2 ANTI-CMET ANTIBODY DRUG CONJUGATES AND METHODS FOR THEIR USE AbbVie Biotherapeutics Inc. (US) 2023-08-30 EP disclosed
EP-3327027-B9 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER (US) 2021-07-07 EP disclosed
EP-3327027-A1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF Pfizer Inc (US) 2018-05-30 EP disclosed