SCHEMBL12849803

SCHEMBL12849803

CC(C)Oc1c(-c2ccccc2Oc2ccccc2[N+](=O)[O-])c(=O)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ HPGD P15428 2/20 0.46
▸ ALDH1A1 P00352 5/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ ESR2 Q92731 1/20 0.41
▸ S100A4 P26447 2/20 0.40
▸ PTPRC P08575 1/20 0.40
▸ LMNA P02545 4/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ RECQL P46063 1/20 0.39
▸ HTT P42858 3/20 0.39
▸ ATM Q13315 1/20 0.39
▸ ADRA2A P08913 1/20 0.38

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
SCHEMBL12849446 0.80 MAPK1 (0.45) L3MBTL1ALDH1A1TDP1S100A4PTPRC
SCHEMBL1340836 0.78 L3MBTL1 (0.68) L3MBTL1HPGDALDH1A1TDP1ESR2
SCHEMBL11406237 0.76 HPGD (0.68) L3MBTL1HPGDALDH1A1TDP1ESR2
SCHEMBL1342303 0.74 ALDH1A1 (0.63) L3MBTL1HPGDALDH1A1TDP1LMNA
SCHEMBL39472 0.72 HPGD (0.78) L3MBTL1HPGDALDH1A1TDP1ESR2
SCHEMBL28056476 0.71 L3MBTL1 (0.81) L3MBTL1HPGDALDH1A1TDP1ESR2
SCHEMBL3208138 0.70 L3MBTL1 (0.58) L3MBTL1HPGDALDH1A1TDP1ESR2
SCHEMBL8564440 0.69 PLAUR (0.39) L3MBTL1HPGDALDH1A1TDP1PTPRC
SCHEMBL8329482 0.69 L3MBTL1 (0.58) L3MBTL1HPGDALDH1A1TDP1ESR2
SCHEMBL27952716 0.68 ALDH1A1 (0.63) L3MBTL1HPGDALDH1A1TDP1LMNA

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-2011034051-A1 NOVEL CYCLIC SQUARAMIDE DERIVATIVES 参天製薬株式会社 (JP) 2011-03-24 — — WO disclosed
Send feedback