SCHEMBL28291224

SCHEMBL28291224

Nc1cc(C2(c3ccc(O)c(N)c3)CCCCCC2)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.62
ESR2 Q92731 4/20 0.62
ALDH1A1 P00352 9/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
ACHE P22303 1/20 0.44
ALOX12 P18054 6/20 0.41
ALOX15 P16050 3/20 0.41
HSD17B10 Q99714 3/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
GAA P10253 6/20 0.39
MAPT P10636 6/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 3/20 0.39
PKM P14618 2/20 0.39
LMNA P02545 4/20 0.39
HTT P42858 3/20 0.37
RECQL P46063 2/20 0.37

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
SCHEMBL13784870 1.00 ESR1 (0.62) ESR1ESR2ALDH1A1L3MBTL1ACHE
SCHEMBL31364254 1.00 ESR1 (0.62) ESR1ESR2ALDH1A1L3MBTL1ACHE
SCHEMBL13784873 0.98 ESR1 (0.61) ESR1ESR2ALDH1A1L3MBTL1ACHE
SCHEMBL15308825 0.85 ESR1 (0.58) ESR1ESR2ALDH1A1L3MBTL1ACHE
SCHEMBL4743330 0.82 ESR1 (0.69) ESR1ESR2ALDH1A1L3MBTL1ACHE
SCHEMBL15251120 0.82 ESR1 (0.48) ESR1ESR2ALDH1A1L3MBTL1ACHE
SCHEMBL17532656 0.79 ESR1 (0.68) ESR1ESR2ALDH1A1L3MBTL1ACHE
SCHEMBL464963 0.77 ESR1 (1.00) ESR1ESR2ALDH1A1L3MBTL1ACHE
SCHEMBL10776828 0.77 ESR1 (1.00) ESR1ESR2ALDH1A1L3MBTL1ACHE
SCHEMBL675104 0.77 ESR1 (1.00) ESR1ESR2ALDH1A1L3MBTL1ACHE

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
CN-105899497-B Novel bis (hydroxyphenyl) benzoxazole compounds 本州化学工业株式会社 2019-04-09 CN disclosed