SCHEMBL7786203

SCHEMBL7786203

CC(C)(C)OC(=O)N1CCC(Nc2ccc(OC(=O)OCc3ccccc3)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
MAPT P10636 3/20 0.57
MAPK1 P28482 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
HTT P42858 2/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
PRMT5 O14744 1/20 0.51
YAP1 P46937 2/20 0.49
STS P08842 1/20 0.48
CACNA1B Q00975 1/20 0.48
GPR119 Q8TDV5 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
NTSR1 P30989 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL7043443 0.88 ALDH1A1 (0.69) ALDH1A1MAPTMAPK1L3MBTL1HTT
SCHEMBL7043474 0.86 ALDH1A1 (0.60) ALDH1A1MAPTMAPK1L3MBTL1HTT
SCHEMBL7391868 0.83 ALDH1A1 (0.67) ALDH1A1MAPTMAPK1L3MBTL1HTT
SCHEMBL17262543 0.82 ALDH1A1 (0.54) ALDH1A1MAPTMAPK1L3MBTL1HTT
SCHEMBL2709640 0.82 ALDH1A1 (0.74) ALDH1A1MAPTMAPK1L3MBTL1HTT
SCHEMBL4247075 0.81 ALDH1A1 (0.78) ALDH1A1MAPTMAPK1L3MBTL1HTT
SCHEMBL4239069 0.80 ALDH1A1 (0.53) ALDH1A1MAPTMAPK1L3MBTL1HTT
SCHEMBL23724092 0.80 ALDH1A1 (0.62) ALDH1A1MAPTMAPK1L3MBTL1HTT
SCHEMBL2418581 0.79 PRMT5 (0.68) ALDH1A1L3MBTL1PRMT5YAP1STS
SCHEMBL7385055 0.79 PRMT5 (0.56) ALDH1A1MAPTMAPK1L3MBTL1HTT

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
US-6251918-B1 FOR THERAPY OF STROKE, CEREBRAL ISCHEMIA, HEAD TRAUMA, OR EPILEPSY WARNER-LAMBERT COMPANY 2001-06-26 US disclosed