SCHEMBL20281116

SCHEMBL20281116

C[C@H]1CC[C@H](n2ccc(=O)[nH]c2=O)O1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC28A1 O00337 1/20 0.43
SLC28A2 O43868 1/20 0.43
SLC29A1 Q99808 1/20 0.43
SLC28A3 Q9HAS3 1/20 0.43
CRBN Q96SW2 2/20 0.41
DUT P33316 4/20 0.40
P2RY2 P41231 8/20 0.38
P2RY6 Q15077 4/20 0.36
P2RY4 P51582 2/20 0.35

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
SCHEMBL13531639 1.00 SLC28A1 (0.43) SLC28A1SLC28A2SLC29A1SLC28A3CRBN
SCHEMBL9853759 1.00 SLC28A1 (0.43) SLC28A1SLC28A2SLC29A1SLC28A3CRBN
SCHEMBL8038615 0.81 TK1 (0.46)
SCHEMBL12154833 0.81 DUT (0.41) SLC28A1SLC28A2SLC29A1SLC28A3CRBN
SCHEMBL13939558 0.81 SLC28A1 (0.43) SLC28A1SLC28A2SLC29A1SLC28A3CRBN
SCHEMBL14102265 0.81 SLC28A1 (0.40) SLC28A1SLC28A2SLC29A1SLC28A3CRBN
SCHEMBL9452795 0.81 SLC28A1 (0.46) SLC28A1SLC28A2SLC29A1SLC28A3DUT
SCHEMBL16855538 0.81 DUT (0.41) SLC28A1SLC28A2SLC29A1SLC28A3CRBN
SCHEMBL31589522 0.79 SLC28A1 (0.44) SLC28A1SLC28A2SLC29A1SLC28A3DUT
SCHEMBL30618187 0.79 SLC28A1 (0.44) SLC28A1SLC28A2SLC29A1SLC28A3DUT

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-2018107236-A1 NOVEL COMPOUNDS AS ANTI-MYCOBACTERIALS THE UNIVERSITY OF SYDNEY (AU) 2018-06-21 WO disclosed