SCHEMBL28539231

SCHEMBL28539231

CC(C)(C)c1ccc(OP(=O)(O)Oc2ccccc2)c(C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
GPR84 Q9NQS5 1/20 0.41
SRC P12931 1/20 0.41
APEX1 P27695 1/20 0.40
POLB P06746 2/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALOX5 P09917 1/20 0.35
PTGS2 P35354 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 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
SCHEMBL19056330 0.92 APEX1 (0.38) ALDH1A1GPR84SRCAPEX1RAB9A
SCHEMBL1276516 0.90 APEX1 (0.40) ALDH1A1GPR84APEX1MAPTTDP1
SCHEMBL29373261 0.90 APEX1 (0.40) ALDH1A1GPR84APEX1MAPTTDP1
SCHEMBL2216548 0.88 APEX1 (0.40) ALDH1A1GPR84APEX1MAPTTDP1
SCHEMBL28227981 0.88 APEX1 (0.40) ALDH1A1GPR84APEX1MAPTTDP1
Ammonia Solution, Strong SCHEMBL28310052 0.88 APEX1 (0.40) ALDH1A1GPR84APEX1MAPTTDP1
SCHEMBL27659647 0.88 APEX1 (0.40) ALDH1A1GPR84APEX1MAPTTDP1
SCHEMBL1013191 0.88 KDM4E (0.41) ALDH1A1APEX1MAPTTDP1CYP2C19
SCHEMBL1552049 0.86 APEX1 (0.39) ALDH1A1SRCAPEX1POLBRAB9A
SCHEMBL30611835 0.86 APEX1 (0.39) ALDH1A1SRCAPEX1POLBRAB9A

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-112500558-B Preparation method of degradable phase change energy storage elastomer 江苏科技大学 2022-09-30 CN disclosed
CN-112500558-A Preparation method of degradable phase change energy storage elastomer 江苏科技大学 2021-03-16 CN disclosed