SCHEMBL7593809

SCHEMBL7593809

CC(C)(C)c1cc(CCC(=O)O)cc(-n2nc3ccccc3n2)c1O.COC(=O)CCc1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.45
MAOA P21397 2/20 0.45
GAA P10253 5/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
ACHE P22303 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
AGTR1 P30556 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
ALOX5 P09917 1/20 0.36
VCAM1 P19320 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL7068865 0.96 GAA (0.47) MAOBMAOAGAAKMT2AMEN1
SCHEMBL29350844 0.96 GAA (0.47) MAOBMAOAGAAKMT2AMEN1
SCHEMBL31360 0.96 GAA (0.47) MAOBMAOAGAAKMT2AMEN1
SCHEMBL29768287 0.93 MAOB (0.45) MAOBMAOAGAAKMT2AMEN1
SCHEMBL100766 0.93 MAOB (0.45) MAOBMAOAGAAKMT2AMEN1
SCHEMBL14418602 0.90 GAA (0.43) MAOBMAOAGAAKMT2AMEN1
SCHEMBL7593805 0.89 VCAM1 (0.46) MAOBMAOAGAAKMT2AMEN1
SCHEMBL1896797 0.88 MAOB (0.42) MAOBMAOAGAAKMT2AMEN1
SCHEMBL31349925 0.88 GAA (0.43) MAOBMAOAGAAKMT2AMEN1
SCHEMBL7527995 0.88 KDM4E (0.41) MAOBMAOAGAAKMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1252147-A1 BLOOM-RESISTANT BENZOTRIAZOLE UV ABSORBERS AND COMPOSITIONS STABILIZED THEREWITH Ciba SC Holding AG (CH) 2002-10-30 EP disclosed
WO-2001056998-A1 BLOOM-RESISTANT BENZOTRIAZOLE UV ABSORBERS AND COMPOSITIONS STABILIZED THEREWITH CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-08-09 WO disclosed