SCHEMBL28889487

SCHEMBL28889487

CC(=O)OCc1cc(Oc2ccc(C#N)cc2)ccc1B(O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.43
PARP10 Q53GL7 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
PTGER4 P35408 1/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
IL18 Q14116 1/20 0.42
ALDH1A1 P00352 1/20 0.41
SCN9A Q15858 10/20 0.38
SCN7A Q01118 1/20 0.37
KCNH2 Q12809 1/20 0.37
MGLL Q99685 1/20 0.37
PGR P06401 1/20 0.37

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
SCHEMBL21239291 0.85 PTGER4 (0.49) PARP15PARP10PARP2PTGER4MAPT
SCHEMBL20568243 0.84 PARP15 (0.43) PARP15PARP10PARP2PTGER4MAPT
SCHEMBL30427245 0.84 PARP15 (0.43) PARP15PARP10PARP2PTGER4MAPT
SCHEMBL23030274 0.81 PARP15 (0.42) PARP15PARP10PARP2PTGER4MAPT
SCHEMBL30461113 0.80 PARP15 (0.41) PARP15PARP10PARP2PTGER4MAPT
SCHEMBL28505819 0.80 PARP15 (0.41) PARP15PARP10PARP2PTGER4MAPT
SCHEMBL23004801 0.80 PARP15 (0.41) PARP15PARP10PARP2PTGER4MAPT
SCHEMBL10268833 0.80 CACNA1G (0.39) PARP15PARP10PARP2PTGER4MAPT
SCHEMBL10268583 0.77 PARP15 (0.37) PARP15PARP10PARP2PTGER4MAPT
SCHEMBL20568239 0.76 PDE4B (0.43) PARP15PARP10PARP2PTGER4MAPT

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
CN-115215765-A Preparation method of kreb polymer impurity 湖北丽益医药科技有限公司 2022-10-21 CN disclosed