SCHEMBL6545797

SCHEMBL6545797

CCOC(=O)Oc1cc2cc(O)ccc2o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.58
MAOA P21397 3/20 0.58
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
GLA P06280 1/20 0.48
CASP1 P29466 1/20 0.48
BRCA1 P38398 1/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 1/20 0.48
FLT3 P36888 1/20 0.46
MIF P14174 2/20 0.45
PFKFB3 Q16875 1/20 0.45
KMT2A Q03164 3/20 0.44
LCK P06239 1/20 0.43
MEN1 O00255 2/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL9204717 0.87 MAOB (0.46) MAOBMAOAALDH1A1HPGDSMN1; SMN2
SCHEMBL4683562 0.84 FLT3 (0.49) MAOBMAOALMNAFLT3KMT2A
SCHEMBL2323034 0.84 ALDH1A1 (0.50) MAOBMAOAALDH1A1KMT2AHTT
SCHEMBL6545788 0.83 MAOB (0.60) MAOBALDH1A1HPGDGAAKDM4E
SCHEMBL9202218 0.82 CA12 (0.46) MAOBMAOAALDH1A1HPGDKDM4E
SCHEMBL9798234 0.82 CA12 (0.46) MAOBMAOAALDH1A1HPGDKDM4E
SCHEMBL28007471 0.80 KDM4E (0.58) MAOBMAOAALDH1A1HPGDSMN1; SMN2
SCHEMBL6021921 0.80 CA12 (0.50) MAOBMAOAALDH1A1SMN1; SMN2GAA
Hydrochloric Acid SCHEMBL9797800 0.79 CA12 (0.44) MAOBMAOAALDH1A1HPGDKDM4E
SCHEMBL6545814 0.79 FLT3 (0.54) MAOBMAOAALDH1A1HPGDSMN1; SMN2

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-1373239-A1 BENZOFURAN DERIVATIVES Bayer HealthCare AG (DE) 2004-01-02 EP disclosed
WO-2002079181-A1 BENZOFURAN DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2002-10-10 WO disclosed