SCHEMBL28565618

SCHEMBL28565618

CC(C)(C)CC(C)(C)c1ccc(OC(=O)c2cccc(C(=O)Oc3ccc(C(C)(C)CC(C)(C)C)cc3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MDH1 P40925 10/20 0.57
MDH2 P40926 10/20 0.57
MAPT P10636 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HIF1A Q16665 3/20 0.55
ALDH1A1 P00352 1/20 0.48
THRB P10828 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP3A4 P08684 1/20 0.48
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
CYP2C9 P11712 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SHBG P04278 1/20 0.45
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44

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
SCHEMBL10529183 0.90 MAPT (0.69) MDH1MDH2MAPTTDP1L3MBTL1
SCHEMBL2395085 0.83 MAPT (0.78) MAPTTDP1L3MBTL1HIF1AALDH1A1
SCHEMBL1064180 0.79 CYP3A4 (0.57) MDH1MDH2MAPTTDP1L3MBTL1
SCHEMBL8917962 0.79 MAPT (0.71) MAPTTDP1L3MBTL1HIF1AALDH1A1
SCHEMBL2518984 0.79 MAPT (0.67) MAPTTDP1L3MBTL1ALDH1A1THRB
SCHEMBL11416285 0.79 TDP1 (0.43) MDH1MDH2MAPTTDP1L3MBTL1
SCHEMBL28761267 0.78 SMN1; SMN2 (0.56) MDH1MDH2MAPTTDP1L3MBTL1
SCHEMBL7620007 0.78 CYP3A4 (0.56) MDH1MDH2MAPTALDH1A1SMN1; SMN2
SCHEMBL10875111 0.78 MAPT (0.56) MAPTTDP1L3MBTL1ALDH1A1THRB
SCHEMBL698506 0.77 HPGD (0.58) MDH1MDH2MAPTTDP1L3MBTL1

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
CN-109476821-B Active ester resin and cured product thereof DIC株式会社 2021-05-07 CN disclosed