SCHEMBL7565407

SCHEMBL7565407

CC(C)(C)C(=O)OCOc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
NPC1 O15118 4/20 0.64
RAB9A P51151 4/20 0.64
TP53 P04637 4/20 0.64
MAPT P10636 4/20 0.64
HPGD P15428 4/20 0.64
ALDH1A1 P00352 4/20 0.64
CYP2C9 P11712 3/20 0.64
CYP2C19 P33261 3/20 0.64
CYP3A4 P08684 3/20 0.64
NFKB1 P19838 3/20 0.64
NFKB2 Q00653 3/20 0.64
RELA Q04206 3/20 0.64
CYP2D6 P10635 2/20 0.64
AKR1B10 O60218 2/20 0.64
LMNA P02545 2/20 0.64
CYP19A1 P11511 2/20 0.64
MAOA P21397 2/20 0.64

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
SCHEMBL7571857 0.92 ALDH2 (0.65) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL26145322 0.91 NPC1 (0.71) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6142578 0.83 SMN1; SMN2 (0.67) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL2749031 0.82 MEN1 (0.64) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL26145329 0.81 CYP3A4 (0.62) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL10119567 0.81 MEN1 (0.69) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6142590 0.80 RAB9A (0.77) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL31595524 0.80 MEN1 (0.65) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL2748826 0.79 ALDH2 (0.67) MEN1KMT2ASMN1; SMN2NPC1RAB9A
Biochanin SCHEMBL61258 0.79 RAB9A (1.00) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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-2002081491-A2 NEW GENISTEIN DERIVATIVES AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM INSTYTUT FARMACEUTYCZNY (PL) 2002-10-17 WO disclosed