SCHEMBL9805779

SCHEMBL9805779

COC(=O)C[C@H](NCCCN(C)C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 1/20 0.46
TSHR P16473 1/20 0.42
PAOX Q6QHF9 1/20 0.36
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DNM1 Q05193 1/20 0.34
ALOX15 P16050 1/20 0.34
SUCNR1 Q9BXA5 1/20 0.34
HPGD P15428 1/20 0.33
KDM4A O75164 2/20 0.32
KDM4C Q9H3R0 2/20 0.32
KDM5A P29375 1/20 0.32
KDM7A Q6ZMT4 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32

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
SCHEMBL9805775 1.00 KDM4E (0.46) KDM4ENPC1TSHRPAOXMAPK1
SCHEMBL11246906 0.90 TSHR (0.39) KDM4ENPC1TSHRMAPK1MEN1
SCHEMBL11234189 0.86 KDM4E (0.43) KDM4ENPC1TSHRPAOXHTT
SCHEMBL11151811 0.86 KDM4E (0.43) KDM4ENPC1TSHRPAOXMAPK1
SCHEMBL6947286 0.85 KDM4E (0.48) KDM4ENPC1TSHRPAOXSUCNR1
SCHEMBL6947280 0.85 KDM4E (0.48) KDM4ENPC1TSHRPAOXSUCNR1
SCHEMBL11148996 0.84 HTT (0.47) KDM4ENPC1TSHRPAOXMAPK1
SCHEMBL11152622 0.83 DNM1 (0.42) KDM4ENPC1TSHRMAPK1DNM1
SCHEMBL8740356 0.80 ALDH1A1 (0.41) KDM4EKMT2ADNM1ALOX15SUCNR1
SCHEMBL11237882 0.80 KDM4E (0.39) KDM4ENPC1TSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0022059-B1 N-SUBSTITUTED ESTERS OF ASPARTIC ACID, THEIR PREPARATION AND USE CIBA-GEIGY AG (CH) 1983-08-17 EP claimed
US-4326069-A CURING AGENTS FOR POLYEPOXIDES CIBA-GEIGY CORPORATION (US) 1982-04-20 US claimed
US-5032488-A Method of metalizing a surface using a mixture of olefin and dibenzalacetone palladium complex CIBA-GEIGY CORPORATION (US) 1991-07-16 US disclosed
US-4326069-A CURING AGENTS FOR POLYEPOXIDES CIBA-GEIGY CORPORATION (US) 1982-04-20 US disclosed