SCHEMBL28534015

SCHEMBL28534015

CCCCOC(C)COC(C)CO.COCC(C)OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 4/20 0.37
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
MAPT P10636 2/20 0.33
GALR3 O60755 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPK1 P28482 1/20 0.30
CNR1 P21554 1/20 0.30
LPAR6 P43657 2/20 0.30
LPAR1 Q92633 2/20 0.30
LPAR4 Q99677 2/20 0.30

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
SCHEMBL27833047 1.00 PRKCA (0.37) PRKCAALDH1A1TSHRCHRM2CHRM4
SCHEMBL29101190 0.87 ALDH1A1 (0.36) PRKCAALDH1A1TSHRCHRM2CHRM4
SCHEMBL30201458 0.85 TDP1 (0.42) PRKCAALDH1A1TSHRCHRM2CHRM4
SCHEMBL28104971 0.84 TDP1 (0.41) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL10277717 0.83 TSHR (0.45) ALDH1A1TSHRCHRM2CHRM4CHRM1
SCHEMBL487682 0.83 TSHR (0.45) ALDH1A1TSHRCHRM2CHRM4CHRM1
SCHEMBL145638 0.83 TSHR (0.45) ALDH1A1TSHRCHRM2CHRM4CHRM1
SCHEMBL10713824 0.83 TSHR (0.45) PRKCATSHRCHRM2CHRM4CHRM1
SCHEMBL1900360 0.83 TDP1 (0.42) ALDH1A1TSHRTDP1CNR1LPAR6
SCHEMBL1901968 0.83 TDP1 (0.42) ALDH1A1TSHRTDP1CNR1LPAR6

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-109294423-B Water-based nano polyaniline-polyurethane conductive anticorrosive paint and preparation method thereof 湖北启利新材料股份有限公司 2021-02-02 CN disclosed