SCHEMBL28859573

SCHEMBL28859573

CC(C)c1cc(C(C)C)c(-c2ccccc2OP(=O)(O)O)c(C(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 6/20 0.40
INPP5A Q14642 4/20 0.40
INPP5B P32019 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
SRC P12931 2/20 0.40
HSD17B10 Q99714 2/20 0.40
USP2 O75604 1/20 0.40
PDE3A Q14432 1/20 0.40
PTPN5 P54829 1/20 0.37
FABP3 P05413 2/20 0.36
FABP4 P15090 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
AKT1 P31749 1/20 0.35
FABP5 Q01469 1/20 0.35
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL20482358 0.81 PTPN5 (0.34) KDM4EALDH1A1HPGDHSD17B10PTPN5
SCHEMBL6246385 0.80 INPPL1 (0.46) INPPL1INPP5AINPP5BKDM4EALDH1A1
Phosphine SCHEMBL22634093 0.79 GABRA1 (0.35) KDM4EALDH1A1HPGDHSD17B10FABP3
SCHEMBL29986284 0.79 APP (0.46) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL25183137 0.78 PTPN5 (0.39) KDM4EPTPN5FABP3FABP4FABP5
SCHEMBL28926501 0.77 MAP2 (0.39) ALDH1A1FABP3FABP4NPSR1
SCHEMBL28781329 0.77 PTPN5 (0.50) INPPL1INPP5AINPP5BKDM4EALDH1A1
SCHEMBL19639007 0.77 KDM4E (0.36) INPPL1INPP5AINPP5BKDM4EALDH1A1
SCHEMBL29933139 0.76 NPSR1 (0.43) ALDH1A1HSD17B10NPC1RAB9ALMNA
SCHEMBL224271 0.76 INPPL1 (0.52) INPPL1INPP5AINPP5BKDM4EALDH1A1

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-115210238-A Substituted aminoquinolones as DGK alpha inhibitors for immune activation 拜耳公司 2022-10-18 CN disclosed