SCHEMBL12205181

SCHEMBL12205181

CCOC(=O)C(C)(C)C(C)(C)C(=N)N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.44
CYP4F2 P78329 3/20 0.39
CYP4A11 Q02928 3/20 0.39
ALDH1A1 P00352 2/20 0.37
PKM P14618 3/20 0.37
MMP8 P22894 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 2/20 0.36
THRB P10828 1/20 0.35
ABCB11 O95342 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
HTR2A P28223 1/20 0.35
PMP22 Q01453 1/20 0.35
PPARA Q07869 1/20 0.35
CNR2 P34972 2/20 0.35

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
SCHEMBL1785998 0.84 ALDH1A1 (0.50) ALOX15CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL31238899 0.81 ALOX15 (0.46) ALOX15CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL11077055 0.76 CYP4F2 (0.42) ALOX15CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL8160225 0.75 ALDH1A1 (0.46) ALOX15CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL3881192 0.73 CYP4F2 (0.44) ALOX15CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL6900414 0.72 PKM (0.41) ALOX15CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL637901 0.72
SCHEMBL776033 0.71 PKM (0.44) ALOX15CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL4187876 0.71 ALOX15 (0.50) ALOX15CYP4F2CYP4A11ALDH1A1PKM
SCHEMBL9588358 0.71 CYP4F2 (0.42) ALOX15CYP4F2CYP4A11ALDH1A1PKM

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
EP-1965798-B1 USEFUL MONOBACTAM ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2011-10-19 EP disclosed
WO-2007065288-A2 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2007-06-14 WO disclosed