SCHEMBL9009565

SCHEMBL9009565

O=C1CC(O)C(=O)N1C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
FABP5 Q01469 3/20 0.43
FABP7 O15540 2/20 0.43
EPHX2 P34913 1/20 0.41
TSHR P16473 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CASP1 P29466 1/20 0.39
MDM4 O15151 1/20 0.36
TP53 P04637 1/20 0.36
F10 P00742 1/20 0.36
CASP3 P42574 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35

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
SCHEMBL1202245 0.83 KMT2A (0.48) KMT2AFABP5FABP7EPHX2TSHR
SCHEMBL30253490 0.83 KMT2A (0.48) KMT2AFABP5FABP7EPHX2TSHR
SCHEMBL29617524 0.83 KMT2A (0.48) KMT2AFABP5FABP7EPHX2TSHR
SCHEMBL21838309 0.78 KMT2A (0.44) KMT2AFABP5FABP7EPHX2TSHR
SCHEMBL3590981 0.78 KMT2A (0.44) KMT2AFABP5FABP7EPHX2TSHR
SCHEMBL9009580 0.78 P2RX4 (0.50) KMT2A
SCHEMBL13327274 0.75 POLB (0.52) KMT2AFABP5FABP7EPHX2TSHR
SCHEMBL22397770 0.75 POLB (0.52) KMT2AFABP5FABP7EPHX2TSHR
SCHEMBL789074 0.75 FABP5 (0.48) KMT2AFABP5FABP7EPHX2TSHR
SCHEMBL29430507 0.75 FABP5 (0.48) KMT2AFABP5FABP7EPHX2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0516070-B1 Protected tryptophan derivatives, process to synthetize them and their use CALBIOCHEM NOVABIOCHEM AG (CH) 1996-11-06 EP claimed
EP-0516070-A1 Protected tryptophan derivatives, process to synthetize them and their use CALBIOCHEM-NOVABIOCHEM AG (CH) 1992-12-02 EP claimed
EP-0516070-B1 Protected tryptophan derivatives, process to synthetize them and their use CALBIOCHEM NOVABIOCHEM AG (CH) 1996-11-06 EP disclosed
US-5300651-A Protected derivatives of tryptophan, processes for their preparation and their use for the preparation of dipeptide, polypeptide or protein structures CALBIOCHEM-NOVABIOCHEM AG (CH) 1994-04-05 US disclosed
EP-0516070-A1 Protected tryptophan derivatives, process to synthetize them and their use CALBIOCHEM-NOVABIOCHEM AG (CH) 1992-12-02 EP disclosed