SCHEMBL4933012

SCHEMBL4933012

COc1ccc(COc2ncc(-c3cccc4c3ccn4[Si](C(C)C)(C(C)C)C(C)C)cc2C(=O)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.40
TLR8 Q9NR97 1/20 0.40
LMNA P02545 4/20 0.39
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.37
ALDH1A1 P00352 5/20 0.37
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
PPARA Q07869 1/20 0.37
THRB P10828 1/20 0.37
BCHE P06276 1/20 0.37
PPARG P37231 3/20 0.37
CYP19A1 P11511 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 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
SCHEMBL3931122 0.79 KMT2A (0.43) PTGER1LMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL3926276 0.76 VNN1 (0.37) PTGER1LMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL3934029 0.74 DYRK1B (0.42) CNR2CNR1ALDH1A1HPGDKDM4E
SCHEMBL3928837 0.74 GRM5 (0.41) LMNACNR2ALDH1A1HPGDSMN1; SMN2
SCHEMBL3927709 0.74 MAOB (0.40) PTGER1LMNACNR2CNR1ALDH1A1
SCHEMBL3925114 0.73 KDM4E (0.40) PTGER1LMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL3933545 0.73 VNN1 (0.35) PTGER1LMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL3929916 0.73 DYRK1B (0.40) TLR8CNR2ALDH1A1HPGDKDM4E
SCHEMBL3929259 0.69 KDR (0.39) LMNAHPGDSMN1; SMN2MAPTCYP19A1
SCHEMBL3925118 0.68 BRD4 (0.32) LMNACNR2CNR1ALDH1A1HPGD

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
WO-2008008059-A1 ANTI-CANCER AGENTS ANS USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2008-01-17 WO disclosed