SCHEMBL11629795

SCHEMBL11629795

CC(C)Oc1ccccc1-c1ncc(C(N)=O)c(=O)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 5/20 0.52
PDE5A O76074 4/20 0.47
MAP2 P11137 2/20 0.43
CAMKK2 Q96RR4 1/20 0.43
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PARP1 P09874 1/20 0.42
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
SLC9A1 P19634 1/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL11666113 0.90 CAMKK2 (0.42) IRAK4PDE5AMAP2CAMKK2PARP1
SCHEMBL11708696 0.89 PDE5A (0.51) IRAK4PDE5AALOX15HSD17B10
SCHEMBL11628832 0.89 PARP1 (0.39) IRAK4PDE5AALOX15PARP1HTT
SCHEMBL11624834 0.86 PARP1 (0.56) CAMKK2ALOX15HSD17B10PARP1SLC9A1
SCHEMBL11624915 0.86 PDE5A (0.46) PDE5APARP1HTT
SCHEMBL11624906 0.84 GUSB (0.54) PDE5AHSD17B10
SCHEMBL11628474 0.84 KDM4E (0.53) PDE5A
SCHEMBL9297225 0.82 PDE5A (0.55) PDE5AALOX15HSD17B10
SCHEMBL11626599 0.81 MEN1 (0.51) PDE5AALOX15
SCHEMBL11629646 0.80 IDO1 (0.47) PDE5APARP1HTT

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-4082751-A ANTIALLERGENS BRISTOL-MYERS COMPANY (US) 1978-04-04 US disclosed