SCHEMBL11536828

SCHEMBL11536828

CCCCC(C)(C)C(=O)Nc1nc(CC)co1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ACAT1 P24752 1/20 0.39
SOAT1 P35610 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
AR P10275 2/20 0.34
ACSS2 Q9NR19 1/20 0.34
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32

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
SCHEMBL11594989 0.91 KDM4E (0.38) KDM4ETP53CYP3A4MAPTALOX15
SCHEMBL11544529 0.85 KDM4E (0.40) KDM4ETP53CYP3A4MAPTALOX15
SCHEMBL11595164 0.83 KDM4E (0.36) KDM4ETP53CYP3A4MAPTALOX15
SCHEMBL11593235 0.82 KDM4E (0.38) KDM4ETP53CYP3A4MAPTALOX15
SCHEMBL11540702 0.81 KDM4E (0.44) KDM4ETP53CYP3A4MAPTALOX15
SCHEMBL11595069 0.80 KDM4E (0.46) KDM4ETP53CYP3A4MAPTALOX15
SCHEMBL11593210 0.79 ADORA1 (0.43)
SCHEMBL11542530 0.79 ACSS2 (0.37) KDM4ETP53MAPTMEN1KMT2A
SCHEMBL11595197 0.77 CCR2 (0.39) KDM4ETP53CYP3A4MAPTALOX15
SCHEMBL11539401 0.77 TDP1 (0.48) MEN1KMT2ATDP1CNR2DRD2

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
US-4150143-A N-Substituted-acylamino-oxazoles as antiasthma agents LILLY INDUSTRIES LIMITED (GB) 1979-04-17 US disclosed
US-4122183-A ANTIASTHMATIC LILLY INDUSTRIES LIMITED (GB) 1978-10-24 US disclosed