SCHEMBL11540702

SCHEMBL11540702

CCCCCC(C)(C)C(=O)Nc1nc(C)co1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
ACAT1 P24752 1/20 0.44
SOAT1 P35610 1/20 0.44
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CNR1 P21554 3/20 0.36
CNR2 P34972 3/20 0.36
CCR2 P41597 2/20 0.34
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CXCR4 P61073 1/20 0.34
ELANE P08246 1/20 0.34
HDAC4 P56524 1/20 0.34
MEF2D Q14814 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
SCHEMBL11595069 0.99 KDM4E (0.46) KDM4ETP53CYP3A4MAPTALOX15
SCHEMBL11544529 0.96 KDM4E (0.40) KDM4ETP53CYP3A4MAPTALOX15
SCHEMBL11529819 0.83 AR (0.34) KDM4EMAPTHDAC4MEF2DFPR3
SCHEMBL11593211 0.82 AR (0.35) KDM4ETP53MAPTHDAC4MEF2D
SCHEMBL11536828 0.81 KDM4E (0.39) KDM4ETP53CYP3A4MAPTALOX15
SCHEMBL11594989 0.80 KDM4E (0.38) KDM4ETP53CYP3A4MAPTALOX15
SCHEMBL11593235 0.79 KDM4E (0.38) KDM4ETP53CYP3A4MAPTALOX15
SCHEMBL11596784 0.78 IDH2 (0.38) KDM4EMAPTTSHRKMT2ATDP1
SCHEMBL11667600 0.78 L3MBTL1 (0.42) KDM4EMAPTMEN1KMT2AIDH2
SCHEMBL11544586 0.77 LMNA (0.46)

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