SCHEMBL21235866

SCHEMBL21235866

CC(C)CCNC(=O)CNC=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.45
LMNA P02545 3/20 0.45
KMT2A Q03164 1/20 0.41
PKM P14618 1/20 0.41
ADH1B P00325 1/20 0.40
ADH1C P00326 1/20 0.40
ADH1A P07327 1/20 0.40
ANPEP P15144 3/20 0.40
RNPEP Q9H4A4 2/20 0.40
DNPEP Q9ULA0 2/20 0.40
HPGD P15428 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 2/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL23589880 0.78 ANPEP (0.44) CNR1LMNAKMT2APKMANPEP
SCHEMBL24330010 0.78 CNR1 (0.45) CNR1LMNAKMT2APKMANPEP
SCHEMBL19033460 0.78 LMNA (0.40) CNR1LMNAKMT2AADH1BADH1C
SCHEMBL22134299 0.76 CNR1 (0.44) CNR1LMNAKMT2APKMANPEP
SCHEMBL13703456 0.76 ANPEP (0.46) CNR1LMNAKMT2APKMANPEP
SCHEMBL24465216 0.76 LMNA (0.47) LMNAKMT2AADH1BADH1CADH1A
SCHEMBL13227429 0.75 LMNA (0.50) CNR1LMNAKMT2AHPGDALDH1A1
SCHEMBL7257878 0.74 ALDH1A1 (0.58) CNR1LMNAPKMANPEPRNPEP
SCHEMBL19114217 0.74 ADH1B (0.56) CNR1LMNAKMT2AADH1BADH1C
SCHEMBL30520938 0.74 ADH1B (0.48) CNR1LMNAKMT2AADH1BADH1C

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
WO-2019151133-A1 MANUFACTURING METHOD FOR BORTEZOMIB CRYSTALS 日本化薬株式会社 2019-08-08 WO disclosed