SCHEMBL29128906

SCHEMBL29128906

CCCCOC(CC(=O)CC(=O)O)OCCCC

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
PLA2G4B P0C869 1/20 0.36
GPR84 Q9NQS5 5/20 0.35
AKR1B1 P15121 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
TSHR P16473 2/20 0.34
TP53 P04637 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.33
SLC22A8 Q8TCC7 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL5972166 0.84 ALDH1A1 (0.35) ALDH1A1PLA2G4BGPR84KMT2AS1PR1
SCHEMBL28424411 0.81 HAO1 (0.36) ALDH1A1GPR84AKR1B1MAPTKMT2A
SCHEMBL16411803 0.80 LDHA (0.33)
SCHEMBL31252971 0.77 GPR84 (0.50) ALDH1A1GPR84MAPTKMT2ATSHR
SCHEMBL1883376 0.77 CA12 (0.41) ALDH1A1ATMTSHR
SCHEMBL3240699 0.76 ATM (0.37) ALDH1A1PLA2G4BATMHCAR2TSHR
SCHEMBL28013728 0.75 ATM (0.36) ALDH1A1PLA2G4BATMHCAR2TSHR
Acetic Acid SCHEMBL10719151 0.74 GPR84 (0.47) ALDH1A1GPR84MAPTKMT2ATSHR
Acetoacetic Acid SCHEMBL29128904 0.74 ALDH1A1 (0.37) ALDH1A1PLA2G4BGPR84AKR1B1ATM
SCHEMBL1879519 0.73 NAAA (0.44) ALDH1A1MAPTATMHCAR2TSHR

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-114075410-B Adhesive tape with polyurethane carrier 德莎欧洲股份公司 2023-03-14 CN disclosed