SCHEMBL10439488

SCHEMBL10439488

CC(C)COC(=O)Oc1ccc(-c2ccccc2Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.43
ALDH1A1 P00352 3/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.39
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PPARA Q07869 6/20 0.36

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
SCHEMBL5696733 0.83 CYP1A2 (0.50) CA2ALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL9339760 0.81 CA2 (0.44) CA2ALDH1A1TSHRMAPK1MAPT
SCHEMBL1790169 0.79 ALDH1A1 (0.55) CA2ALDH1A1TSHRATMELANE
SCHEMBL27734670 0.78 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1MAPTNPC1
SCHEMBL27771821 0.75 ALDH1A1 (0.53) CA2ALDH1A1TSHRMAPTRAB9A
SCHEMBL1791187 0.73 CA2 (0.47) CA2ALDH1A1TSHRMAPTKMT2A
SCHEMBL11170817 0.73 SMN1; SMN2 (0.50) CA2ALDH1A1TSHRMAPTNPC1
SCHEMBL9341759 0.72 MAOB (0.43) CA2ALDH1A1TSHRMAPK1MAPT
SCHEMBL13926715 0.72 MAPT (0.51) CA2ALDH1A1TSHRMAPTNPC1
SCHEMBL17637686 0.72 CA2 (0.46) CA2ALDH1A1TSHRRAB9ASMN1; SMN2

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-0391212-A2 Process for preparing bifunctional Z-stilbene compounds, new bifunctional Z-stilbene compounds and their use for preparing polymers BAYER AG (DE) 1990-10-10 EP disclosed