SCHEMBL27804682

SCHEMBL27804682

CCC1CN(c2ccc(OC)cc2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
GRM2 Q14416 2/20 0.48
HSD11B1 P28845 1/20 0.47
ELANE P08246 1/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
PKM P14618 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
RUNX1 Q01196 1/20 0.42
CBFB Q13951 1/20 0.42
HKDC1 Q2TB90 1/20 0.42

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
SCHEMBL22365585 0.84 ROCK2 (0.47) POLBGRM2HSD11B1ELANEMEN1
SCHEMBL8814165 0.81 ALDH1A1 (0.44) POLBMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL14140972 0.78 POLB (0.53) POLBGRM2HSD11B1PKMNPC1
SCHEMBL14140969 0.78 POLB (0.53) POLBGRM2HSD11B1PKMNPC1
SCHEMBL28439668 0.77 POLB (0.51) POLBGRM2HSD11B1SMN1; SMN2PKM
SCHEMBL28950551 0.77 POLB (0.51) POLBGRM2HSD11B1PKMNPC1
SCHEMBL28950554 0.77 POLB (0.51) POLBGRM2HSD11B1PKMNPC1
SCHEMBL28428120 0.77 SOAT1 (0.58) GRM2MEN1TSHRKMT2AMAPT
SCHEMBL2800406 0.75 POLB (0.50) POLBGRM2HSD11B1MEN1KMT2A
SCHEMBL8494181 0.75 POLB (0.50) POLBGRM2HSD11B1MEN1KMT2A

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
CN-101747250-B Method for preparing 4 - acyloxo heterocyclic ketone compounds SHANGHAI INST PHARM INDUSTRY 2012-09-05 CN disclosed
CN-101747250-A Method for preparing 4 - acyloxo heterocyclic ketone compounds SHANGHAI INST PHARM INDUSTRY 2010-06-23 CN disclosed