SCHEMBL7076952

SCHEMBL7076952

CCOc1ccc2c(c1)OC(O)(c1ccccc1)CC2=O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.55
RIPK1 Q13546 1/20 0.51
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ADRB2 P07550 4/20 0.45
ADRB1 P08588 4/20 0.45
ADRB3 P13945 2/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL29375243 0.86 KDM4E (0.60) MAOBRIPK1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL30238224 0.83 ALDH1A1 (0.48) MAOBRIPK1ALDH1A1KDM4ENPC1
SCHEMBL7075441 0.82 MAOB (0.54) MAOBALDH1A1KDM4ENPC1MAPK1
SCHEMBL23610338 0.78 KDM4E (0.58) MAOBRIPK1ALDH1A1KDM4E
SCHEMBL2022537 0.76 SIGMAR1 (0.45) MAOBRIPK1KDM4E
SCHEMBL753626 0.76 SIGMAR1 (0.45) MAOBRIPK1KDM4E
SCHEMBL20094731 0.76 RIPK1 (0.84) MAOBRIPK1ALDH1A1KDM4ENPC1
SCHEMBL4348338 0.75 KDM4E (0.60) MAOBALDH1A1KDM4ESMN1; SMN2
N-Benzylmethylamine SCHEMBL11522198 0.74 MAOB (0.71) MAOBALDH1A1KDM4ENPC1MAPK1
SCHEMBL30872986 0.74 RIPK1 (0.53) MAOBRIPK1ALDH1A1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322632-A1 N-DISUBSTITUTED CARBAMOYLOXY FLAVONES Biogal Pharmaceutical Co., Ltd (HU) 2003-07-02 EP disclosed
WO-2002024677-A1 N-DISUBSTITUTED CARBAMOYLOXY FLAVONES BIOGAL PHARMACEUTICAL CO., LTD. (HU) 2002-03-28 WO disclosed
WO-2002024676-A1 N-DISUBSTITUTED CARBAMOYLOXY FLAVONES TEVA PHARMACEUTICALS INDUSTRIES, LTD. (IL) 2002-03-28 WO disclosed