SCHEMBL11707366

SCHEMBL11707366

CCOc1ccccc1-c1ncc(C(=O)OC)c(=O)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GUSB P08236 1/20 0.53
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
PDE5A O76074 13/20 0.47
PDE1A P54750 5/20 0.47
PDE1B Q01064 5/20 0.47
PDE1C Q14123 5/20 0.47
PDE10A Q9Y233 1/20 0.45
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL11628793 0.90 KDM4E (0.57) GUSBKDM4EALDH1A1PDE5APDE1A
SCHEMBL7940546 0.88 GUSB (0.58) GUSBKDM4EALDH1A1PDE5APDE1A
SCHEMBL11624906 0.86 GUSB (0.54) GUSBKDM4EALDH1A1PDE5APDE1A
Potassium Ion SCHEMBL11709053 0.85 GUSB (0.53) GUSBKDM4EALDH1A1PDE5APDE1A
SCHEMBL11711295 0.85 GUSB (0.53) GUSBKDM4EALDH1A1PDE5APDE1A
SCHEMBL8294627 0.84 KDM4E (0.62) KDM4EALDH1A1MEN1KMT2A
SCHEMBL9296772 0.82 KDM4E (0.54) KDM4EALDH1A1PDE5APDE1APDE1B
SCHEMBL11628682 0.81 KDM4E (0.53) KDM4EALDH1A1PDE5APDE1APDE1B
SCHEMBL11628488 0.81 KDM4E (0.53) GUSBKDM4EALDH1A1
SCHEMBL11628765 0.81 KDM4E (0.53) GUSBKDM4EALDH1A1PDE5AMEN1

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
US-4031093-A ANTIALLERGENS BRISTOL-MYERS COMPANY (US) 1977-06-21 US disclosed