SCHEMBL22129702

SCHEMBL22129702

CC(=O)O[C@H](COC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.50
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.44
ADRB2 P07550 2/20 0.44
ADRB1 P08588 2/20 0.44
ADRB3 P13945 2/20 0.44
TDP1 Q9NUW8 3/20 0.43
CYP3A4 P08684 1/20 0.43
LMNA P02545 1/20 0.39
ABCB1 P08183 1/20 0.38
RECQL P46063 1/20 0.38
POLB P06746 2/20 0.38
MAPK1 P28482 2/20 0.38
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL22129704 1.00 PRKCA (0.50) PRKCAALDH1A1TSHRTP53ADRB2
SCHEMBL813097 0.88 PRKCA (0.58) PRKCAALDH1A1TSHRTP53ADRB2
SCHEMBL2816910 0.82 PRKCA (0.68) PRKCAALDH1A1TSHRTP53ADRB2
SCHEMBL13755806 0.82 PRKCA (0.68) PRKCAALDH1A1TSHRTP53ADRB2
SCHEMBL7154581 0.82 PRKCA (0.68) PRKCAALDH1A1TSHRTP53ADRB2
SCHEMBL7155714 0.82 PRKCA (0.68) PRKCAALDH1A1TSHRTP53ADRB2
SCHEMBL16217633 0.81 PRKCA (0.67) PRKCAALDH1A1TSHRTP53ADRB2
SCHEMBL7148185 0.81 PRKCA (0.56) PRKCAALDH1A1TSHRTP53ADRB2
SCHEMBL11062964 0.81 PRKCA (0.56) PRKCAALDH1A1TSHRTP53ADRB2
SCHEMBL7032736 0.80 PRKCA (0.50) PRKCAALDH1A1TSHRTP53ADRB2

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
WO-2020129901-A1 METHOD FOR PREPARING KETONE COMPOUND 株式会社トクヤマ 2020-06-25 WO disclosed
WO-2020129899-A1 METHOD FOR PRODUCING C-ARYL HYDROXY GLYCOXIDE DERIVATIVES 株式会社トクヤマ 2020-06-25 WO disclosed