SCHEMBL28818751

SCHEMBL28818751

CCC(CC(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.54
ATM Q13315 1/20 0.50
HSD11B1 P28845 1/20 0.46
LDHA P00338 2/20 0.45
LDHB P07195 2/20 0.45
FFAR1 O14842 3/20 0.45
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PTPN1 P18031 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
GSK3B P49841 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
CNR2 P34972 1/20 0.44

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
SCHEMBL28818750 1.00 PDPK1 (0.57) PDPK1L3MBTL1ATMHSD11B1LDHA
SCHEMBL12174638 1.00 PDPK1 (0.57) PDPK1L3MBTL1ATMHSD11B1LDHA
SCHEMBL28114650 0.85 ATM (0.66) PDPK1L3MBTL1ATMPOLBHTT
SCHEMBL2581702 0.85 ATM (0.66) PDPK1L3MBTL1ATMPOLBHTT
SCHEMBL12158645 0.85 ATM (0.66) PDPK1L3MBTL1ATMPOLBHTT
SCHEMBL28837036 0.84 L3MBTL1 (0.57) L3MBTL1ATMPOLBHTTNPSR1
SCHEMBL12158730 0.84 L3MBTL1 (0.57) L3MBTL1ATMPOLBHTTNPSR1
SCHEMBL28837037 0.84 L3MBTL1 (0.57) L3MBTL1ATMPOLBHTTNPSR1
SCHEMBL12158725 0.82 L3MBTL1 (0.59) L3MBTL1ATMPOLBHTTNPSR1
SCHEMBL2579321 0.82 L3MBTL1 (0.59) L3MBTL1ATMPOLBHTTNPSR1

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-104530122-B Dinaphthol phosphoramidite ligand, its synthetic method and the application thereof of dendrimer, dendritic polymer load 商丘师范学院 2016-11-30 CN disclosed
CN-104530122-A Dendrimer polymer loaded binaphthol phosphoramidite ligand as well as synthesis method and application thereof UNIV SHANGQIU NORMAL 2015-04-22 CN disclosed