SCHEMBL6131944

SCHEMBL6131944

COc1cc(C(C)N2CCN(c3cc(C)c4ccccc4n3)CC2)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.53
ALDH1A1 P00352 9/20 0.53
MAPT P10636 6/20 0.53
L3MBTL1 Q9Y468 4/20 0.53
KMT2A Q03164 2/20 0.52
GAA P10253 6/20 0.51
ACHE P22303 1/20 0.50
HPGD P15428 4/20 0.48
POLB P06746 1/20 0.48
ALOX12 P18054 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ADRB1 P08588 1/20 0.48
NCF1 P14598 1/20 0.48
EGFR P00533 1/20 0.46
AURKA O14965 1/20 0.45
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
AHR P35869 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
Hydrochloric Acid SCHEMBL7686966 0.99 KDM4E (0.53) KDM4EALDH1A1MAPTL3MBTL1KMT2A
SCHEMBL6131973 0.85 HRH3 (0.56) KDM4EALDH1A1MAPTKMT2AGAA
Water SCHEMBL7691512 0.84 HRH3 (0.55) KDM4EALDH1A1MAPTKMT2AGAA
Water SCHEMBL6131839 0.84 HRH3 (0.55) KDM4EALDH1A1MAPTKMT2AGAA
SCHEMBL6131851 0.79 OGA (0.59) KDM4EALDH1A1KMT2AACHEHPGD
SCHEMBL6131984 0.79 UTS2R (0.49) KDM4EALDH1A1MAPTL3MBTL1GAA
Water SCHEMBL7685626 0.78 OGA (0.58) KDM4EALDH1A1KMT2AACHEHPGD
Water SCHEMBL6131870 0.78 OGA (0.58) KDM4EALDH1A1KMT2AACHEHPGD
Hydrochloric Acid SCHEMBL6132096 0.77 UTS2R (0.48) KDM4EALDH1A1MAPTL3MBTL1GAA
SCHEMBL6131939 0.76 GAA (0.55) KDM4EALDH1A1MAPTKMT2AGAA

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-1032559-A4 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2005-05-25 EP claimed
EP-1032559-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2000-09-06 EP claimed
WO-1999016746-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 1999-04-08 WO claimed