SCHEMBL10875656

SCHEMBL10875656

COC(C)(COc1ccc(Cl)cc1C)C(C)(C)Cn1cncn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
ALDH1A1 P00352 4/20 0.41
CYP3A4 P08684 2/20 0.41
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 3/20 0.37
SSTR4 P31391 1/20 0.36
CYP19A1 P11511 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
HPGD P15428 2/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 2/20 0.34
NPC1 O15118 1/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL9633868 0.86 ALDH1A1 (0.42) POLBALDH1A1CYP3A4GAAKDM4E
SCHEMBL9634196 0.82 ALDH1A1 (0.57) POLBALDH1A1CYP3A4GAAKDM4E
SCHEMBL10460171 0.81 CYP3A4 (0.47) POLBALDH1A1CYP3A4GAAKDM4E
SCHEMBL11347931 0.78 POLB (0.44) POLBALDH1A1CYP3A4GAAKDM4E
SCHEMBL9663100 0.78 POLB (0.42) POLBALDH1A1CYP3A4GAAKDM4E
SCHEMBL10833027 0.74 CYP3A4 (0.40) POLBALDH1A1CYP3A4GAAKDM4E
SCHEMBL11205347 0.73 SSTR4 (0.39) ALDH1A1CYP3A4GAAKDM4EKMT2A
SCHEMBL10590011 0.72 KMT2A (0.49) POLBALDH1A1CYP3A4GAAKDM4E
SCHEMBL10366188 0.72 ALDH1A1 (0.58) POLBALDH1A1CYP3A4KMT2ASMN1; SMN2
SCHEMBL10634281 0.71 CYP3A4 (0.48) POLBALDH1A1CYP3A4KMT2ACYP19A1

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-B1 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) 1986-02-26 EP disclosed