SCHEMBL15218650

SCHEMBL15218650

CC(C)CNC(=O)CN(C)CCS(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 6/20 0.35
MMP8 P22894 2/20 0.34
MMP1 P03956 1/20 0.34
RECQL P46063 1/20 0.33
EPHX1 P07099 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KAT2A Q92830 1/20 0.31
KAT2B Q92831 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP12 P39900 1/20 0.31
MMP14 P50281 1/20 0.31
EPHX2 P34913 2/20 0.31

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
SCHEMBL15220896 0.83 MCL1 (0.33) HPGDKMT2AEPHX2ALDH1A1
SCHEMBL19523435 0.80 MCL1 (0.37) MMP1EPHX1KMT2ARAB9AMMP2
SCHEMBL19523436 0.79 ALDH1A1 (0.41) SMN1; SMN2KMT2ALMNAALDH1A1
SCHEMBL20925267 0.79
SCHEMBL18999998 0.77 CYP2C19 (0.45) CYP2D6CYP2C19HPGDMMP8MMP1
SCHEMBL14577204 0.74 CYP2D6 (0.50) CYP2D6CYP2C19HPGDMMP8MMP1
SCHEMBL23489768 0.74 CYP2D6 (0.42) CYP2D6CYP2C19HPGDMMP8MMP1
SCHEMBL23264015 0.73 CYP2D6 (0.35) CYP2D6CYP2C19HPGDMMP8MMP1
SCHEMBL21569786 0.73 MEN1 (0.35) SMN1; SMN2KMT2ARAB9AEPHX2ALDH1A1
SCHEMBL13439937 0.71 LTA4H (0.44) CYP2C19KMT2ALMNA

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-9802178-B2 Carrier for blood component adsorption and blood component adsorption column TORAY INDUSTRIES, INC. (JP) 2017-10-31 US disclosed
US-20130220912-A1 CARRIER FOR BLOOD COMPONENT ADSORPTION AND BLOOD COMPONENT ADSORPTION COLUMN TORAY INDUSTRIES, INC. (JP) 2013-08-29 US disclosed