SCHEMBL22394445

SCHEMBL22394445

CC(C)(c1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1)c1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1.O=C1OC(=O)c2ccc3c4c(ccc1c24)C(=O)OC3=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.42
MAOB P27338 4/20 0.42
MAPT P10636 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ATM Q13315 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CYP2C9 P11712 1/20 0.35
ALDH1A1 P00352 2/20 0.34
ACHE P22303 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 2/20 0.33
MAPK1 P28482 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 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
SCHEMBL29395934 0.95 MAOA (0.45) MAOAMAOBMAPTTDP1L3MBTL1
SCHEMBL74437 0.95 MAOA (0.45) MAOAMAOBMAPTTDP1L3MBTL1
SCHEMBL24510001 0.93 MAOA (0.43) MAOAMAOBMAPTTDP1L3MBTL1
SCHEMBL1501421 0.91 MAOA (0.49) MAOAMAOBMAPTTDP1L3MBTL1
SCHEMBL22215240 0.90 MEN1 (0.43) MAOAMAOBMAPTTDP1L3MBTL1
SCHEMBL22180791 0.90 MAOB (0.41) MAOAMAOBMAPTTDP1L3MBTL1
SCHEMBL24949032 0.90 ESR1 (0.42) MAOAMAOBMAPTTDP1L3MBTL1
SCHEMBL15695721 0.89 MAOA (0.43) MAOAMAOBMAPTTDP1L3MBTL1
SCHEMBL17282278 0.87 MAOA (0.60) MAOAMAOBMAPTTDP1L3MBTL1
SCHEMBL17298634 0.87 MAOA (0.39) MAOAMAOBMAPTTDP1L3MBTL1

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-3083881-B1 MOLECULAR GLASS MIXTURES FOR ORGANIC ELECTRONICS APPLICATIONS MOLECULAR GLASSES INC (US) 2020-09-09 EP disclosed