SCHEMBL28258557

SCHEMBL28258557

CCCCOC(C)OOC(=O)CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.41
ALDH1A1 P00352 2/20 0.36
LMNA P02545 3/20 0.35
ATM Q13315 1/20 0.34
DGKA P23743 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 2/20 0.32
HPGD P15428 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
DNM1 Q05193 1/20 0.32
ESR1 P03372 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
NR1H2 P55055 1/20 0.32
RNASEL Q05823 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL28885928 0.87 LMNA (0.46) ALDH1A1LMNAATMDGKAMAPT
SCHEMBL272387 0.87 ALDH1A1 (0.39) NAAAALDH1A1LMNAATMDGKA
SCHEMBL2957621 0.83 ALDH1A1 (0.47) ALDH1A1LMNAATMTSHRHPGD
SCHEMBL1947721 0.81 ALDH1A1 (0.45) ALDH1A1LMNAATMTSHRHPGD
SCHEMBL14015830 0.81 NAAA (0.44) NAAAALDH1A1LMNAATMDGKA
SCHEMBL2849667 0.80 DGKA (0.46) ALDH1A1LMNAATMDGKAMAPT
SCHEMBL15512144 0.80 LMNA (0.46) ALDH1A1LMNATHRB
SCHEMBL5835751 0.80 TSHR (0.34) NAAAALDH1A1ATMTSHRHPGD
SCHEMBL10536174 0.80 LMNA (0.42) ALDH1A1LMNAATMDGKAMAPT
SCHEMBL10701706 0.79 ALDH1A1 (0.34) NAAAALDH1A1LMNAATMTSHR

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-109195792-A Cellulose esters multilayer sandwich 首诺公司 2019-01-11 CN disclosed
CN-109070553-A Cellulose esters multilayer sandwich 首诺公司 2018-12-21 CN disclosed