SCHEMBL8070032

SCHEMBL8070032

CCOCCN(CC)c1ccc(C=O)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAPT P10636 8/20 0.40
S100B P04271 1/20 0.40
KDM4E B2RXH2 4/20 0.39
HPGD P15428 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALOX15 P16050 1/20 0.39
ALDH1A3 P47895 2/20 0.39
ALDH3A1 P30838 1/20 0.39
GAA P10253 3/20 0.39
IGLV6-57 P01721 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL2845181 0.83 ALDH1A1 (0.63) ALDH1A1L3MBTL1MAPTS100BKDM4E
SCHEMBL8137263 0.83 ALDH1A1 (0.41) ALDH1A1L3MBTL1MAPTKDM4EHPGD
SCHEMBL14940641 0.83 ALDH1A1 (0.47) ALDH1A1L3MBTL1MAPTS100BKDM4E
SCHEMBL11698998 0.82 ALDH1A1 (0.46) ALDH1A1L3MBTL1MAPTS100BKDM4E
SCHEMBL11183654 0.81 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPTS100BKDM4E
SCHEMBL8017515 0.81 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPTS100BKDM4E
SCHEMBL9513863 0.81 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPTS100BKDM4E
SCHEMBL2945669 0.81 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPTS100BKDM4E
SCHEMBL11233456 0.81 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPTSMN1; SMN2LMNA
SCHEMBL10939041 0.79 ALDH1A1 (0.65) ALDH1A1L3MBTL1MAPTKDM4EHPGD

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
EP-0650089-B1 High resolution radiographic recording element AGFA GEVAERT NV (BE) 2000-06-21 EP disclosed
EP-0650089-A1 High resolution radiographic recording element E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-04-26 EP disclosed
US-4110070-A QUATERNIZING INDOLENINE METHINE COMPOUND ON FIBERS TO FORM CATIONIC DYE HODOGAYA CHEMICAL CO., LTD. (JP) 1978-08-29 US disclosed