SCHEMBL10165987

SCHEMBL10165987

CCC(C)n1c(=O)[nH]c2c(C(=O)OC)c(C)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 2/20 0.37
DAO P14920 2/20 0.36
ATM Q13315 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
NR4A2 P43354 1/20 0.32
POLB P06746 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 3/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD11B1 P28845 1/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
GAA P10253 1/20 0.31
TP53 P04637 1/20 0.31
THRB P10828 1/20 0.31
GRIN1 Q05586 1/20 0.31

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
SCHEMBL2632476 0.87 POLB (0.40) EZH2DAOATMNR4A2POLB
SCHEMBL2632475 0.72 POLB (0.43) DAOPOLBKDM4EGAA
SCHEMBL1655471 0.68 ATM (0.45) DAOATMPOLBSMN1; SMN2LMNA
SCHEMBL2632474 0.68 POLB (0.41) DAOPOLBKMT2A
SCHEMBL16344549 0.67 EZH2 (0.53) EZH2ATMNR4A2LMNAALDH1A1
SCHEMBL2632366 0.65 POLB (0.48) DAONR4A2POLBLMNAALDH1A1
SCHEMBL2632481 0.65 NR4A2 (0.43) NR4A2POLBLMNAALDH1A1KMT2A
SCHEMBL24165535 0.64 KDM4E (0.43) NR4A2ALDH1A1KMT2AMAPTKDM4E
SCHEMBL10362653 0.64 CYP2C9 (0.40) SMN1; SMN2LMNAALDH1A1KDM4EHTT
SCHEMBL1654671 0.62 CLEC4M (0.48) DAOPOLBSMN1; SMN2LMNAALDH1A1

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-2012054874-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-26 WO disclosed