SCHEMBL11245387

SCHEMBL11245387

CC(C)c1ccoc1C(=O)N(C)C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.37
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HSP90AA1 P07900 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
HPGD P15428 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
HSP90AB1 P08238 2/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL11253382 0.80 KMT2A (0.43) MAPTMEN1KMT2AALDH1A1GABRA1
SCHEMBL2301987 0.77 MAPT (0.38) MAPTMEN1KMT2AHSP90AA1KDM4E
SCHEMBL11193443 0.75 KDM4E (0.49) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL2301583 0.74 MAPT (0.40) MAPTMEN1KMT2AKDM4ENPC1
SCHEMBL28547662 0.73 ALDH1A1 (0.34) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL11057740 0.73 ALDH1A1 (0.41) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL30223478 0.73 CFTR (0.38) MAPTSMN1; SMN2MEN1KMT2AKDM4E
Acrylic Acid SCHEMBL10706068 0.73 KMT2A (0.38) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL12545912 0.71 MEN1 (0.53) KEAP1SMN1; SMN2MEN1KMT2AHSP90AA1
SCHEMBL11248250 0.67 TDP1 (0.40) MAPTSMN1; SMN2MEN1KMT2AKDM4E

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-0001699-B1 DERIVATIVES OF FURYL COMPOUNDS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 1982-02-24 EP disclosed
US-4288443-A HISTAMINE ANTAGONISTS GLAXO GROUP LIMITED (GB) 1981-09-08 US disclosed
EP-0001699-A2 Derivatives of furyl compounds, their preparation and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 1979-05-02 EP disclosed