SCHEMBL9638481

SCHEMBL9638481

O=C1OC(=O)c2cc(Oc3cc4c(cc3F)C(=O)OC4=O)ccc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.42
MAOB P27338 3/20 0.42
ATM Q13315 1/20 0.39
MAPK14 Q16539 4/20 0.39
TDP1 Q9NUW8 2/20 0.38
ALOX15 P16050 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 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
SCHEMBL10592356 0.86 MAPK14 (0.53) MAPK14
SCHEMBL9469052 0.84 ALOX15 (0.37) TDP1ALOX15ALDH1A1
SCHEMBL18804040 0.82 TDP1 (0.48) MAOAMAOBATMTDP1ALOX15
SCHEMBL30950420 0.82 MAOA (0.53) MAOAMAOBATMTDP1ALOX15
SCHEMBL42261 0.82 MAOA (0.53) MAOAMAOBATMTDP1ALOX15
SCHEMBL9638500 0.80 MAOA (0.39) MAOAMAOBATMTDP1ALOX15
SCHEMBL10592332 0.80 MAOA (0.39) MAOAMAOBATMTDP1ALOX15
SCHEMBL1501398 0.80 MAOA (0.56) MAOAMAOBATMTDP1ALOX15
SCHEMBL30970619 0.80 MAOA (0.56) MAOAMAOBATMTDP1ALOX15
SCHEMBL84254 0.80 MAOA (0.56) MAOAMAOBATMTDP1ALOX15

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
US-5101006-A Polyimides and copolyimides based on halo-oxydiphthalic anhydrides OCCIDENTAL CHEMICAL CORPORATION (US) 1992-03-31 US disclosed