SCHEMBL11246906

SCHEMBL11246906

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
KDM4E B2RXH2 4/20 0.37
NPC1 O15118 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TGFBR1 P36897 1/20 0.33
MAPK1 P28482 1/20 0.32
SUCNR1 Q9BXA5 1/20 0.31
PRMT3 O60678 1/20 0.30
CARM1 Q86X55 1/20 0.30
PRMT6 Q96LA8 1/20 0.30
PRMT1 Q99873 1/20 0.30
PRMT8 Q9NR22 1/20 0.30
ANPEP P15144 1/20 0.30
GGT1 P19440 1/20 0.30
DNM1 Q05193 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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 0.90 KDM4E (0.46) TSHRKDM4ENPC1MEN1KMT2A
SCHEMBL9805779 0.90 KDM4E (0.46) TSHRKDM4ENPC1MEN1KMT2A
SCHEMBL11148996 0.78 HTT (0.47) TSHRKDM4ENPC1MAPK1ALDH1A1
SCHEMBL4910708 0.77 KDM4E (0.47) KDM4ENPC1PRMT3CARM1PRMT6
SCHEMBL11151811 0.76 KDM4E (0.43) TSHRKDM4ENPC1MAPK1SUCNR1
SCHEMBL11234189 0.76 KDM4E (0.43) TSHRKDM4ENPC1KMT2ADNM1
SCHEMBL7213859 0.76 GRN (0.36) TSHRMEN1KMT2ATGFBR1MAPK1
SCHEMBL12391612 0.75 MME (0.34) TSHRTGFBR1MAPK1
SCHEMBL27889526 0.74 TGFBR1 (0.36) TSHRKDM4ETGFBR1GGT1
SCHEMBL6947280 0.74 KDM4E (0.48) TSHRKDM4ENPC1SUCNR1

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
US-4326069-A CURING AGENTS FOR POLYEPOXIDES CIBA-GEIGY CORPORATION (US) 1982-04-20 US disclosed