SCHEMBL20168322

SCHEMBL20168322

CC(C)C(=O)Oc1ccccc1CON

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 14/20 0.56
ALOX15 P16050 1/20 0.43
ELANE P08246 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ADRB2 P07550 1/20 0.39
ADRA2A P08913 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2C P18825 1/20 0.39
DRD1 P21728 1/20 0.39
ADRA1A P35348 1/20 0.39
DRD3 P35462 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
SCHEMBL28017155 0.83 ALOX15 (0.45) ALOX15ELANEMEN1KMT2AADRB2
SCHEMBL4666170 0.82 ALOX15 (0.47) ALOX15ELANEMEN1KMT2AADRB2
SCHEMBL11295860 0.81 EPHX1 (0.48) ALOX15ELANEMEN1KMT2AADRB2
SCHEMBL27674000 0.81 ALOX15 (0.46) ALOX15ELANEMEN1KMT2AADRB2
SCHEMBL6130279 0.81 IDO1 (0.56) IDO1MEN1KMT2A
SCHEMBL15547599 0.80 ALOX15 (0.55) ALOX15ELANEMEN1KMT2AADRB2
SCHEMBL2928329 0.79 ALOX15 (0.45) ALOX15ELANEMEN1KMT2AADRB2
SCHEMBL27993666 0.78 ALOX15 (0.44) ALOX15ELANEMEN1KMT2AADRB2
SCHEMBL31112414 0.78 CXCL8 (0.53) ALOX15ELANEMEN1KMT2A
Bromide SCHEMBL16050020 0.78 ALOX15 (0.53) ALOX15ELANEMEN1KMT2AADRB2

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
WO-2018094334-A1 PRODRUGS OF HYDROXAMATE-BASED GCPII INHIBITORS THE JOHNS HOPKINS UNIVERSITY (US) 2018-05-24 WO disclosed