SCHEMBL22215134

SCHEMBL22215134

CC[C@H](C)CC(=O)NCCNC=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 4/20 0.39
ADH1A P07327 4/20 0.39
ADH7 P40394 3/20 0.39
ADH1C P00326 3/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
EPHX1 P07099 1/20 0.35
ADH4 P08319 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
GGPS1 O95749 2/20 0.35
FDPS P14324 2/20 0.35
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL12418621 0.91 ALDH1A1 (0.39) ADH1BADH1AADH7ADH1CKMT2A
SCHEMBL24259722 0.83 HPGD (0.50) ADH1BADH1AADH7ADH1CKMT2A
SCHEMBL26151157 0.79 MCL1 (0.45) KMT2AALDH1A1MEN1USP2TSHR
SCHEMBL23059829 0.78 ALDH1A1 (0.38) KMT2AALDH1A1MEN1HPGDUSP2
SCHEMBL16588651 0.77 ALDH1A1 (0.40) KMT2AALDH1A1MEN1USP2CA1
SCHEMBL14896643 0.77 MEN1 (0.62) ADH1BADH1AADH7ADH1CKMT2A
SCHEMBL12410354 0.76 USP2 (0.36) ADH1BADH1AADH7ADH1CKMT2A
SCHEMBL20310079 0.76 CASP2 (0.47) KMT2AMEN1HPGDEPHX1TP53
SCHEMBL25574095 0.76 CA1 (0.41) KMT2AALDH1A1MEN1HPGDUSP2
SCHEMBL8657660 0.74 MCL1 (0.41) KMT2AALDH1A1HPGDUSP2TSHR

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
WO-2020145227-A1 COMPLEX COMPRISING LIGAND, SPACER, PEPTIDE LINKER, AND BIOMOLECULE アステラス製薬株式会社 2020-07-16 WO disclosed
WO-2020145228-A1 COMPLEX COMPRISING LIGAND AND CEACAM5 ANTIBODY FAB FRAGMENT アステラス製薬株式会社 2020-07-16 WO disclosed