SCHEMBL11711842

SCHEMBL11711842

O=C(O)c1cnc(-c2ccccc2OCC2CC2)[nH]c1=O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.48
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
KDM6B O15054 4/20 0.42
KDM4A O75164 4/20 0.42
KDM4D Q6B0I6 4/20 0.42
HIF1AN Q9NWT6 4/20 0.42
KDM2A Q9Y2K7 4/20 0.42
KDM3B Q7LBC6 3/20 0.42
KDM5B Q9UGL1 3/20 0.42
BRS3 P32247 1/20 0.41
DGAT1 O75907 1/20 0.41
GUSB P08236 1/20 0.40

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
SCHEMBL11630673 0.90 PDE5A (0.47) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL11628709 0.86 KDM4E (0.51) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7940546 0.83 GUSB (0.58) PDE5AGUSB
SCHEMBL9295923 0.81 PDE5A (0.57) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL11711629 0.80 GAA (0.45) KDM6BKDM4AKDM4DHIF1ANKDM2A
SCHEMBL11710197 0.80 PDE5A (0.54) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL11626668 0.80 PDE5A (0.49) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL11707410 0.80 PDE5A (0.47) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL238499 0.80 PTGER1 (0.47) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL11666115 0.79 IDO1 (0.51) PDE5APDE4APDE4BPDE4CPDE4D

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