SCHEMBL10364797

SCHEMBL10364797

C=CC(=O)NCCCCOc1ccc2c(c1)C(=O)c1ccccc1C2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 2/20 0.45
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
PDK2 Q15119 1/20 0.41
POLB P06746 1/20 0.41
DNMT1 P26358 1/20 0.41
RAD52 P43351 1/20 0.41
MCHR1 Q99705 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PTPN1 P18031 1/20 0.40
ADORA2A P29274 1/20 0.40

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
SCHEMBL10364500 0.85 DRD2 (0.43) TGM2MAPTALDH1A1GAAPDK2
SCHEMBL10362462 0.82 HDAC1 (0.54) TGM2ALDH1A1KMT2ARAB9AMEN1
SCHEMBL10809452 0.82 KDM4E (0.51) TGM2ALDH1A1RAB9AL3MBTL1KDM4E
SCHEMBL10805447 0.81 TGM2 (0.42) TGM2MAPTALDH1A1KMT2AMEN1
SCHEMBL10808817 0.81 ZDHHC20 (0.51) TGM2ALDH1A1NPC1RAB9AGAA
SCHEMBL11017478 0.81 HDAC1 (0.53) TGM2ALDH1A1KMT2ARAB9AMEN1
SCHEMBL10363148 0.80 TGM2 (0.58) TGM2ALDH1A1KMT2ANPC1RAB9A
SCHEMBL10362406 0.79 TGM2 (0.60) TGM2ALDH1A1KMT2ANPC1RAB9A
SCHEMBL10363983 0.79 TGM2 (0.60) TGM2ALDH1A1KMT2ANPC1RAB9A
SCHEMBL10362464 0.79 TGM2 (0.60) TGM2ALDH1A1KMT2ANPC1RAB9A

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-0155177-B1 UNSATURATED CYCLIC AMIDO-SUBSTITUTED ETHER COMPOUNDS AND PREPARATION PROCESS THEREOF MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-10-31 EP disclosed
US-4649219-A CROSSLINKERS, ADHESIVES, PAINTS MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1987-03-10 US disclosed
EP-0155177-A2 Unsaturated cyclic amido-substituted ether compounds and preparation process thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1985-09-18 EP disclosed