SCHEMBL18633248

SCHEMBL18633248

COC(=O)SC1(C2CCCCCC2)CCCNC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
EPHX1 P07099 1/20 0.33
CCR2 P41597 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
SCHEMBL18642980 0.71 MAPT (0.38) MAPTCCR2
SCHEMBL5557492 0.64 CYP3A4 (0.42) MAPTEPHX1
SCHEMBL3709860 0.63
Hydrochloric Acid SCHEMBL473645 0.62
Hydrochloric Acid SCHEMBL4465155 0.62
SCHEMBL17390140 0.62 CHRNB2 (0.39)
Hydrochloric Acid SCHEMBL3716032 0.61 CYP2C19 (0.37) EPHX1
Hydrochloric Acid SCHEMBL17390112 0.61 ALDH1A1 (0.38)
SCHEMBL17892425 0.60 NPSR1 (0.37)
SCHEMBL659895 0.60 NPSR1 (0.37)

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
EP-2027453-B1 NONSEPARATION ASSAY METHODS BECKMAN COULTER INC (US) 2017-03-15 EP disclosed