SCHEMBL19901566

SCHEMBL19901566

CC(C)(C)ONCC(=O)NCC(=O)NCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.39
ALDH1A1 P00352 5/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
RECQL P46063 2/20 0.34
PTGS2 P35354 1/20 0.34
FAAH O00519 5/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
APEX1 P27695 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
GPR18 Q14330 1/20 0.33

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
SCHEMBL1758271 0.83 EGLN1 (0.38) EGLN1ALDH1A1LMNAMAPTTDP1
SCHEMBL17029457 0.81 MAOA (0.39) RECQLGAA
SCHEMBL22178703 0.77 EGLN1 (0.39) EGLN1ALDH1A1LMNAMAPTTDP1
SCHEMBL999017 0.77 MEN1 (0.46) EGLN1ALDH1A1LMNATDP1MEN1
SCHEMBL8500219 0.77 MEN1 (0.46) EGLN1ALDH1A1LMNATDP1MEN1
SCHEMBL1000860 0.77 MEN1 (0.46) EGLN1ALDH1A1LMNATDP1MEN1
SCHEMBL1486144 0.77 MEN1 (0.46) EGLN1ALDH1A1LMNATDP1MEN1
Water SCHEMBL6670447 0.76 MEN1 (0.45) EGLN1ALDH1A1LMNATDP1MEN1
SCHEMBL10277058 0.76 EGLN1 (0.38) EGLN1ALDH1A1LMNAMAPTTDP1
SCHEMBL13140609 0.75 LMNA (0.38) ALDH1A1LMNAMAPTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2961435-B1 CONJUGATES COMPRISING CELL-BINDING AGENTS AND CYTOTOXIC AGENTS IMMUNOGEN INC (US) 2019-05-01 EP disclosed
US-9901647-B2 Conjugates comprising cell-binding agents and cytotoxic agents IMMUNOGEN, INC. (US) 2018-02-27 US disclosed