SCHEMBL7654309

SCHEMBL7654309

CCOC(C)OCC.CNc1ccccc1CC=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 1/20 0.36
ATP4B P51164 1/20 0.36
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 4/20 0.33
AR P10275 1/20 0.33
KDM4E B2RXH2 3/20 0.32
POLB P06746 2/20 0.32
ATM Q13315 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
EGFR P00533 1/20 0.31
MAPT P10636 1/20 0.31
PABPC1 P11940 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 3/20 0.31
HPGD P15428 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
SCHEMBL3635884 0.84 ATP4A (0.44) ATP4AATP4BLMNAL3MBTL1AR
Hydrochloric Acid SCHEMBL15974091 0.82 ATP4A (0.43) ATP4AATP4BLMNAL3MBTL1AR
SCHEMBL7654186 0.79 TSHR (0.38) LMNAL3MBTL1KMT2ASMN1; SMN2MAPT
Phenylacetaldehyde SCHEMBL452558 0.76 LMNA (0.44) LMNAL3MBTL1SIGMAR1KMT2ASMN1; SMN2
Ethylene Glycol SCHEMBL10990240 0.74 TSHR (0.37) LMNAKMT2ASMN1; SMN2MAPTRAB9A
Phenylacetaldehyde SCHEMBL1412189 0.73 LMNA (0.41) LMNAL3MBTL1SIGMAR1KMT2ASMN1; SMN2
SCHEMBL4918898 0.73 LMNA (0.55) LMNAL3MBTL1KDM4EMAPT
Propionaldehyde SCHEMBL28820483 0.72 MAPT (0.43) ATP4AATP4BLMNAL3MBTL1AR
SCHEMBL7654314 0.71 AR (0.35) ATP4AATP4BL3MBTL1ARKDM4E
Phenylacetaldehyde SCHEMBL10892064 0.71 LMNA (0.39) LMNAL3MBTL1KDM4EPOLBKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6365616-B1 TRANSPLANT REJECTION SENTRON MEDICAL, INC. 2002-04-02 US disclosed
EP-1112072-A2 METHIMAZOLE DERIVATIVES AND TAUTOMERIC CYCLIC THIONES TO TREAT AUTOIMMUNE DISEASES Sentron Medical, Inc. (US) 2001-07-04 EP disclosed
WO-2000012175-A2 METHIMAZOLE DERIVATIVES AND TAUTOMERIC CYCLIC THIONES TO TREAT AUTOIMMUNE DISEASES SENTRON MEDICAL, INC. (US) 2000-03-09 WO disclosed