SCHEMBL28048488

SCHEMBL28048488

COCC(CCC(C)=O)OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 2/20 0.39
ALDH1A1 P00352 1/20 0.35
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
HRH1 P35367 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
PGD P52209 1/20 0.31
LPAR6 P43657 1/20 0.31
LPAR1 Q92633 1/20 0.31
LPAR4 Q99677 1/20 0.31
LPAR5 Q9H1C0 1/20 0.31
LPAR2 Q9HBW0 1/20 0.31

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
SCHEMBL2197074 0.86 LMNA (0.41) PRKCAALDH1A1SMN1; SMN2MEN1CYP1A2
SCHEMBL5835599 0.85 PRKCA (0.45) PRKCAALDH1A1LPAR6LPAR1LPAR4
SCHEMBL27408223 0.85 ALDH1A1 (0.43) PRKCAALDH1A1TSHRSMN1; SMN2MEN1
SCHEMBL28607571 0.83 PRKCA (0.38) PRKCAALDH1A1TSHRSMN1; SMN2MEN1
SCHEMBL13174025 0.83 ALDH1A1 (0.38) ALDH1A1LMNA
SCHEMBL11172217 0.83 TSHR (0.43) PRKCAALDH1A1TSHRSMN1; SMN2MEN1
SCHEMBL3801260 0.82 PRKCA (0.44) PRKCAALDH1A1TSHRSMN1; SMN2MEN1
SCHEMBL3841407 0.80 PRKCA (0.39) PRKCATSHRSMN1; SMN2MEN1CYP1A2
SCHEMBL12323575 0.79 PRKCA (0.51) PRKCATSHRSMN1; SMN2MEN1CYP1A2
SCHEMBL2957512 0.79 PRKCA (0.51) PRKCATSHRSMN1; SMN2MEN1CYP1A2

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-105340073-A Method and device for treating a substrate surface EV GROUP E THALLNER GMBH 2016-02-17 CN disclosed