SCHEMBL9165481

SCHEMBL9165481

COc1ccc2c(=O)c(C)c(C=Cc3ccccc3)oc2c1C(C)OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 3/20 0.39
HPGD P15428 2/20 0.39
GAA P10253 1/20 0.39
MPI P34949 1/20 0.39
MAOA P21397 3/20 0.35
MAOB P27338 1/20 0.35
TUBB1 Q9H4B7 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP1B1 Q16678 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 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
SCHEMBL9165469 1.00 MAPT (0.39) MAPTSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL9165474 0.78 MAPT (0.38) MAPTSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL9162496 0.78 MEN1 (0.47) ALDH1A1KDM4EHPGDGAAMAOA
SCHEMBL9162488 0.78 MEN1 (0.47) ALDH1A1KDM4EHPGDGAAMAOA
SCHEMBL8876466 0.69 CYSLTR1 (0.44) MAPTSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL9163981 0.69 LTB4R (0.42) MEN1KMT2APOLBL3MBTL1
SCHEMBL9163987 0.69 LTB4R (0.42) MEN1KMT2APOLBL3MBTL1
SCHEMBL9164869 0.69 MCL1 (0.43) MAPTSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL9164164 0.68 NFE2L2 (0.44) MAPTSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL9164174 0.68 NFE2L2 (0.44) MAPTSMN1; SMN2ALDH1A1KDM4ELMNA

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
US-5409952-A Anticancer agents ADIR ET COMPAGNIE (FR) 1995-04-25 US disclosed