SCHEMBL10922975

SCHEMBL10922975

CC(C)NCCOc1cccc(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.59
ALDH1A1 P00352 4/20 0.59
GAA P10253 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.55
ADRB2 P07550 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
LTA4H P09960 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45

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
Maleic Acid SCHEMBL10923024 0.89 KDM4E (0.61) KDM4EALDH1A1GAAL3MBTL1TDP1
Fumaric Acid SCHEMBL10923030 0.89 KDM4E (0.61) KDM4EALDH1A1GAAL3MBTL1TDP1
SCHEMBL1760893 0.83 L3MBTL1 (0.58) KDM4EALDH1A1GAAL3MBTL1
SCHEMBL28462887 0.82 KDM4E (0.58) KDM4EALDH1A1GAAL3MBTL1
SCHEMBL10922618 0.80 ADRB2 (0.51) KDM4EALDH1A1ADRB2
SCHEMBL27865353 0.79 KDM4E (0.62) KDM4EALDH1A1GAAL3MBTL1
SCHEMBL13251247 0.79 L3MBTL1 (0.57) KDM4EALDH1A1GAAL3MBTL1
SCHEMBL8076614 0.78 ADRB2 (0.53) KDM4EALDH1A1ADRB2
SCHEMBL19271780 0.78 DRD2 (0.60) KDM4EALDH1A1L3MBTL1ADRB2
SCHEMBL171811 0.78 L3MBTL1 (0.68) KDM4EALDH1A1GAAL3MBTL1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0066987-B1 N-(ARYLOXYALKYL)-N'-(AMINO-ALKYL) UREAS A.H. ROBINS COMPANY, INCORPORATED (US) 1986-08-27 EP disclosed
US-4558155-A N-(Aryloxyalkyl)-N'-(aminoalkyl)thioureas A. H. ROBINS COMPANY, INCORPORATED (US) 1985-12-10 US disclosed
US-4500529-A ANTIARRHYTHMIA AGENT A. H. ROBINS COMPANY, INCORPORATED (US) 1985-02-19 US disclosed
EP-0066987-A2 N-(aryloxyalkyl)-N'-(amino-alkyl) ureas A.H. ROBINS COMPANY, INCORPORATED (US) 1982-12-15 EP disclosed