SCHEMBL9844564

SCHEMBL9844564

CC(C)(C)c1ccc(OC(=O)c2cc(C(C)(C)C)c(-c3c(-c4c(C(C)(C)C)cc(C(=O)Oc5ccc(C(C)(C)C)cc5C(C)(C)C)cc4C(C)(C)C)c(-c4c(C(C)(C)C)cc(C(=O)Oc5ccc(C(C)(C)C)cc5C(C)(C)C)cc4C(C)(C)C)c4c(c3-c3c(C(C)(C)C)cc(C(=O)Oc5ccc(C(C)(C)C)cc5C(C)(C)C)cc3C(C)(C)C)=c3ccccc3=4)c(C(C)(C)C)c2)c(C(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.48
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 3/20 0.38
ATM Q13315 1/20 0.35
SERPINE1 P05121 1/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALOX5 P09917 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL8844966 0.81 TDP1 (0.60) APEX1TDP1MAPTL3MBTL1NPSR1
SCHEMBL10898848 0.80 APEX1 (0.47) APEX1TDP1MAPTL3MBTL1NPSR1
SCHEMBL11148523 0.80 APEX1 (0.45) APEX1TDP1MAPTL3MBTL1NPSR1
SCHEMBL76989 0.79 APEX1 (0.50) APEX1TDP1MAPTL3MBTL1NPSR1
SCHEMBL29350333 0.79 APEX1 (0.50) APEX1TDP1MAPTL3MBTL1NPSR1
SCHEMBL18355245 0.79 APEX1 (0.50) APEX1TDP1MAPTL3MBTL1NPSR1
SCHEMBL18690279 0.79 APEX1 (0.52) APEX1TDP1MAPTL3MBTL1NPSR1
SCHEMBL27577575 0.77 APEX1 (0.48) APEX1TDP1MAPTL3MBTL1NPSR1
SCHEMBL673853 0.76 TSHR (0.37) TDP1L3MBTL1ALDH1A1CYP2C19RAB9A
Benzamide SCHEMBL21771957 0.75 TDP1 (0.54) APEX1TDP1MAPTL3MBTL1NPSR1

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-0416321-A1 Crystalline polyolefin composition Chisso Corporation (JP) 1991-03-13 EP disclosed