SCHEMBL18964686

SCHEMBL18964686

O=C(CN1CCOCC1)NC(CCc1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.59
USP2 O75604 1/20 0.59
TMPRSS11D O60235 1/20 0.58
CTRL P40313 1/20 0.58
PSMB5 P28074 8/20 0.57
CYP3A4 P08684 2/20 0.57
CYP3A5 P20815 2/20 0.57
CYP3A7 P24462 2/20 0.57
CYP3A43 Q9HB55 2/20 0.57
PSMB9 P28065 2/20 0.57
PSMB11 A5LHX3 1/20 0.57
PSMD11 O00231 1/20 0.57
PSMD12 O00232 1/20 0.57
PSMD14 O00487 1/20 0.57
PSMA7 O14818 1/20 0.57
PSMD3 O43242 1/20 0.57
CTSB P07858 1/20 0.57
PSMC3 P17980 1/20 0.57
PSMB1 P20618 1/20 0.57
PSMA1 P25786 1/20 0.57

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
SCHEMBL17706113 1.00 HTT (0.59) HTTUSP2TMPRSS11DCTRLPSMB5
SCHEMBL31013619 0.90 HTT (0.56) HTTUSP2TMPRSS11DCTRLPSMB5
SCHEMBL16081640 0.90 HTT (0.56) HTTUSP2TMPRSS11DCTRLPSMB5
SCHEMBL18286847 0.90 TMPRSS11D (0.61) HTTUSP2TMPRSS11DCTRLPSMB5
SCHEMBL16228174 0.90 TMPRSS11D (0.59) HTTTMPRSS11DCTRLPSMB5CYP3A4
SCHEMBL16228176 0.90 TMPRSS11D (0.59) HTTTMPRSS11DCTRLPSMB5CYP3A4
SCHEMBL20825471 0.89 TMPRSS11D (0.66) HTTTMPRSS11DCTRLPSMB5CYP3A4
SCHEMBL20825237 0.89 TMPRSS11D (0.75) TMPRSS11DCTRLPSMB5CYP3A4CYP3A5
SCHEMBL19851642 0.89 TMPRSS11D (0.75) TMPRSS11DCTRLPSMB5CYP3A4CYP3A5
SCHEMBL17706123 0.88 MMP12 (0.58) HTTUSP2TMPRSS11DCTRLPSMB5

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-2017098532-A1 CRYSTALLINE AND AMORPHOUS FORMS OF CARFILZOMIB MYLAN LABORATORIES LIMITED (IN) 2017-06-15 WO disclosed