SCHEMBL20599656

SCHEMBL20599656

CC1(C(=O)OS(=O)(=O)Cl)CCC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL20599658 0.94 NPSR1 (0.38) FFAR3NPSR1ALDH1A1SMN1; SMN2
SCHEMBL2481439 0.73 FFAR3 (0.42) FFAR3NPSR1
SCHEMBL1928676 0.70
SCHEMBL873786 0.70 FFAR3 (0.39) FFAR3ALDH1A1SMN1; SMN2
SCHEMBL17425036 0.69
SCHEMBL17958 0.66 NPSR1 (0.52) FFAR3NPSR1ALDH1A1SMN1; SMN2
SCHEMBL7739592 0.66 ALDH1A1 (0.45) FFAR3NPSR1ALDH1A1SMN1; SMN2
SCHEMBL11094075 0.65 FFAR3 (0.39) FFAR3
SCHEMBL265557 0.65 SMN1; SMN2 (0.45) FFAR3ALDH1A1SMN1; SMN2
SCHEMBL28000867 0.65 FFAR3 (0.39) FFAR3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021121363-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2021-06-24 WO disclosed
EP-3645516-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS Janssen Pharmaceutica NV (BE) 2020-05-06 EP disclosed
WO-2019001420-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2019-01-03 WO disclosed