SCHEMBL27712908

SCHEMBL27712908

N=C(N)NCC(=O)Oc1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.40
KIF11 P52732 8/20 0.37
PRSS1 P07477 1/20 0.35
TMPRSS15 P98073 1/20 0.35
CHRNA7 P36544 2/20 0.35
KCNH2 Q12809 1/20 0.35
FFAR1 O14842 1/20 0.35
EPHX2 P34913 2/20 0.34
CDK8 P49336 1/20 0.34
NOTUM Q6P988 1/20 0.34
P2RX7 Q99572 1/20 0.34

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
SCHEMBL27677076 0.91 CDK8 (0.41) KCNH2EPHX2CDK8
SCHEMBL28114587 0.87 SLC1A3 (0.37) PRSS1TMPRSS15
SCHEMBL27320326 0.80 KIF11 (0.54) KIF11PRSS1EPHX2
SCHEMBL27532791 0.80 KMT2A (0.43) PRSS1
SCHEMBL3710890 0.79 KIF11 (0.51) SLC7A5KIF11FFAR1CDK8NOTUM
SCHEMBL27917095 0.78 PPARG (0.39) EPHX2P2RX7
SCHEMBL27438158 0.78 KDM4E (0.51) PRSS1
SCHEMBL27509338 0.78 KMT2A (0.43)
SCHEMBL27462444 0.77 NR4A1 (0.39)
SCHEMBL28114237 0.77 CYP4F2 (0.37)

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
CN-101107226-B Phenoxyacetic acid derivatives useful for treating respiratory diseases ASTRAZENECA AB 2012-01-18 CN disclosed
CN-101107226-A Phenoxyacetic acid derivatives useful for treating respiratory diseases ASTRAZENECA AB (SE) 2008-01-16 CN disclosed