SCHEMBL3416355

SCHEMBL3416355

O=C(O)Oc1cc2ccc(OCc3ccccc3)cc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.57
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
KDM4E B2RXH2 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
SRD5A2 P31213 1/20 0.54
HSD17B10 Q99714 1/20 0.54
PDGFRB P09619 1/20 0.54
PDGFRA P16234 1/20 0.54
ALOX5 P09917 1/20 0.51
MAOB P27338 5/20 0.51
ACHE P22303 1/20 0.51
MDH2 P40926 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CTSV O60911 1/20 0.49
CTSL P07711 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.47
NR4A2 P43354 2/20 0.46
NR4A1 P22736 1/20 0.46

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
SCHEMBL3409832 0.90 ALDH1A1 (0.68) FLT3ALDH1A1HPGDKDM4ECYP1A2
SCHEMBL3030893 0.81 SRD5A2 (0.80) FLT3ALDH1A1HPGDKDM4ECYP1A2
SCHEMBL30920873 0.81 SRD5A2 (0.80) FLT3ALDH1A1HPGDKDM4ECYP1A2
SCHEMBL6087004 0.79 FLT3 (0.66) FLT3ALDH1A1HPGDKDM4ECYP1A2
SCHEMBL9949523 0.79 FLT3 (0.57) FLT3ALDH1A1HPGDKDM4ECYP1A2
SCHEMBL27635516 0.78 SRD5A2 (0.62) FLT3ALDH1A1HPGDKDM4ECYP1A2
SCHEMBL3420585 0.77 FLT3 (0.54) FLT3ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL8406972 0.77 FLT3 (0.70) FLT3ALDH1A1HPGDKDM4ECYP1A2
SCHEMBL8111841 0.77 KDM4E (0.52) FLT3ALDH1A1HPGDKDM4ECYP1A2
SCHEMBL18886838 0.77 ALDH1A1 (0.61) FLT3ALDH1A1HPGDKDM4ECYP1A2

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
EP-2149552-A1 5,6 substituted benzamide derivatives as modulators of EP2 receptors Bayer Schering Pharma AG (DE) 2010-02-03 EP claimed