SCHEMBL8971275

SCHEMBL8971275

CCOC(=O)C[n+]1ccc(C)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
HTT P42858 3/20 0.45
ABL1 P00519 1/20 0.45
RIN1 Q13671 1/20 0.45
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
ERAP1 Q9NZ08 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
TRPA1 O75762 1/20 0.39
CYP2C19 P33261 1/20 0.39
PPARG P37231 1/20 0.38

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
Bromide SCHEMBL9243928 0.87 ALDH1A1 (0.47) ALDH1A1HTTKMT2AKDM4EMGAM
SCHEMBL21150140 0.87 ALDH1A1 (0.47) ALDH1A1HTTKMT2AKDM4EMGAM
Bromide SCHEMBL10913040 0.84 ALDH1A1 (0.48) ALDH1A1HTTKMT2AKDM4EGAA
SCHEMBL18102273 0.80 ALDH1A1 (0.54) ALDH1A1HTTABL1RIN1SMN1; SMN2
SCHEMBL4232151 0.80 KMT2A (0.47) ALDH1A1KMT2AMGAMGAASI
SCHEMBL23501366 0.80 ALDH1A1 (0.53) ALDH1A1HTTKMT2ALMNASMN1; SMN2
SCHEMBL28360786 0.80 PPID (0.49) ALDH1A1KDM4EGAASMN1; SMN2
Bromide SCHEMBL17966153 0.79 ALDH1A1 (0.53) ALDH1A1HTTABL1RIN1KMT2A
Hydrochloric Acid SCHEMBL28356953 0.79 PPID (0.48) ALDH1A1KDM4EGAASMN1; SMN2
Hydrochloric Acid SCHEMBL28356951 0.79 PPID (0.48) ALDH1A1KDM4EGAASMN1; SMN2

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
EP-0548348-B1 TONERS AND DEVELOPERS CONTAINING ESTER-CONTAINING QUATERNARY PYRIDINIUM SALTS AS CHARGE CONTROL AGENTS EASTMAN KODAK CO (US) 1996-03-20 EP claimed