SCHEMBL8693333

SCHEMBL8693333

CCC=C(C(=O)OCC)C(=O)c1c(C)nc(Cl)c(Cl)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.35
GLO1 Q04760 1/20 0.35
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
MAPT P10636 6/20 0.33
CYP1A2 P05177 2/20 0.33
MAPK1 P28482 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP3A4 P08684 1/20 0.33
KDM4E B2RXH2 5/20 0.32
LMNA P02545 4/20 0.32
PKM P14618 1/20 0.32
CYP2C9 P11712 1/20 0.32
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 2/20 0.32
GPR35 Q9HC97 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
SCHEMBL8693324 0.85 NPSR1 (0.34) NPSR1GLO1MEN1KMT2AMAPT
SCHEMBL7850226 0.85 NPSR1 (0.34) NPSR1GLO1MEN1KMT2AMAPT
SCHEMBL8693473 0.79 NPSR1 (0.35) NPSR1GLO1MEN1KMT2AMAPT
SCHEMBL7850451 0.79 NPSR1 (0.35) NPSR1GLO1MEN1KMT2AMAPT
SCHEMBL7850333 0.77 NPSR1 (0.33) NPSR1MEN1KMT2AMAPTCYP2D6
SCHEMBL8693549 0.76 NPSR1 (0.42) NPSR1GLO1MEN1KMT2AMAPT
SCHEMBL9134085 0.75 MAPT (0.39) NPSR1GLO1MEN1KMT2AMAPT
SCHEMBL8110603 0.73 MAPT (0.38) NPSR1GLO1MEN1KMT2AMAPT
SCHEMBL2083264 0.73 MEN1 (0.40) NPSR1GLO1MEN1KMT2AMAPT
SCHEMBL8741019 0.72 NPSR1 (0.44) NPSR1GLO1MEN1KMT2AMAPT

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
US-5811433-A ANTIMICROBIALS BAYER AKTIENGESELLSCHAFT (DE) 1998-09-22 US disclosed