SCHEMBL11205347

SCHEMBL11205347

COC(C)(COc1ccc(Cl)cc1C)C(C)(C)Cc1nc[nH]n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPK1 P28482 2/20 0.37
MAPT P10636 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HIF1A Q16665 1/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
LMNA P02545 4/20 0.36
TSHR P16473 2/20 0.36
HPGD P15428 2/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
CYP3A4 P08684 1/20 0.35

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
SCHEMBL2625771 0.70 SSTR4 (0.49) SSTR4MEN1KMT2AMAPK1MAPT
SCHEMBL10416250 0.68 MAPT (0.40) SSTR4MEN1KMT2AMAPK1MAPT
SCHEMBL16252787 0.68 SCN4A (0.50) SSTR4MEN1KMT2AMAPK1MAPT
SCHEMBL11159179 0.65 TDP1 (0.40) MAPK1MAPTCYP1A2ALDH1A1SMN1; SMN2
SCHEMBL16255833 0.65 SSTR4 (0.47) SSTR4MEN1KMT2AMAPK1MAPT
SCHEMBL10882996 0.64 ALDH1A1 (0.34) SSTR4MEN1KMT2AMAPTCYP1A2
SCHEMBL9363986 0.64 TDP1 (0.41) MAPK1MAPTKDM4ETSHRNPC1
SCHEMBL13342977 0.63 SCN4A (0.50) MEN1KMT2AMAPK1MAPTCYP1A2
SCHEMBL16252772 0.63 CYP1A2 (0.47) SSTR4MEN1KMT2AMAPK1MAPT
SCHEMBL11383131 0.62 SCN4A (0.53) MEN1KMT2AMAPK1MAPTCYP1A2

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-0085333-A2 Ether derivatives from substituted 1-hydroxyalkyl azoles, process for their preparation as well as their use as fungicides and plant-growth regulators BAYER AG (DE) 1983-08-10 EP disclosed