SCHEMBL9536720

SCHEMBL9536720

COc1cc(OC)cc(C(C)N(C)CCCO)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
ALDH1A1 P00352 2/20 0.35
ABCB11 O95342 1/20 0.34
AOC3 Q16853 1/20 0.34
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR4 P22455 1/20 0.33
FGFR3 P22607 1/20 0.33
KDR P35968 1/20 0.33
FLT3 P36888 1/20 0.33
TACR1 P25103 1/20 0.33
REN P00797 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL9535856 0.77 PPARG (0.48) ACHEALDH1A1AOC3KMT2A
SCHEMBL10628649 0.72 BCHE (0.31) BCHEACHEREN
SCHEMBL13085635 0.70 KDM4E (0.42) ALDH1A1ABCB11KMT2A
SCHEMBL3040062 0.70 PYCR1 (0.33) ALDH1A1
SCHEMBL5486991 0.70 AOC3 (0.49) BCHEACHEAOC3
SCHEMBL15972314 0.69 CYP3A4 (0.41) BCHEACHEALDH1A1KMT2A
SCHEMBL11175185 0.68 ALDH1A1 (0.44) ALDH1A1ABCB11FGFR1FGFR2FGFR4
SCHEMBL19009081 0.65 ALDH1A1 (0.50) ALDH1A1KMT2A
SCHEMBL20340540 0.65 ALDH1A1 (0.50) ALDH1A1
SCHEMBL3183689 0.65 ALDH1A1 (0.44) ALDH1A1ABCB11AOC3FGFR1FGFR2

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
EP-0382629-B1 Aminoalkoxyphenyl derivatives, process for their preparation and compositions containing them SANOFI ELF (FR) 1993-11-24 EP claimed