SCHEMBL17860872

SCHEMBL17860872

CCCOP(=O)(OCCC)C(C)(C)C(=O)I

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LPAR3 Q9UBY5 3/20 0.31
LPAR1 Q92633 2/20 0.31
LPAR2 Q9HBW0 2/20 0.31
CYP3A4 P08684 1/20 0.31
HMGCR P04035 1/20 0.30

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
SCHEMBL17882068 0.82 MEN1 (0.33) MEN1KMT2ALPAR3LPAR1LPAR2
SCHEMBL17878615 0.77 MEN1 (0.34) MEN1KMT2AHMGCR
SCHEMBL12044584 0.73 MEN1 (0.39) MEN1KMT2ALPAR3LPAR1LPAR2
SCHEMBL17860890 0.71 CYP3A4 (0.48) LPAR3LPAR1LPAR2CYP3A4
SCHEMBL3899262 0.69 MEN1 (0.37) MEN1KMT2ALPAR3LPAR1LPAR2
SCHEMBL17860873 0.69 LMNA (0.33) MEN1KMT2ALPAR3LPAR1LPAR2
SCHEMBL19114950 0.68 CYP3A4 (0.39) MEN1KMT2ALPAR3LPAR1LPAR2
SCHEMBL24593983 0.68 CYP3A4 (0.45) LPAR3LPAR1LPAR2CYP3A4
SCHEMBL17878603 0.67 CYP3A4 (0.44) MEN1KMT2ALPAR3LPAR1LPAR2
SCHEMBL11431291 0.67 DGAT1 (0.33)

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-2016100578-A2 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (US) 2016-06-23 WO disclosed