SCHEMBL8699781

SCHEMBL8699781

CC[C](C)C(=O)N[C@H]1C[C@H]1c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.69
NPSR1 Q6W5P4 1/20 0.69
HRH3 Q9Y5N1 1/20 0.56
EPHX2 P34913 3/20 0.54
KDM1A O60341 10/20 0.54
MAOB P27338 2/20 0.54
CNR1 P21554 1/20 0.49
TLR2 O60603 2/20 0.48
TLR1 Q15399 1/20 0.48

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
SCHEMBL8334238 0.84 SMN1; SMN2 (0.68) SMN1; SMN2NPSR1HRH3EPHX2KDM1A
SCHEMBL25695438 0.84 SMN1; SMN2 (0.68) SMN1; SMN2NPSR1HRH3EPHX2KDM1A
Hydrochloric Acid SCHEMBL28626845 0.83 SMN1; SMN2 (0.66) SMN1; SMN2NPSR1HRH3EPHX2KDM1A
SCHEMBL1197466 0.82 SMN1; SMN2 (1.00) SMN1; SMN2NPSR1HRH3EPHX2KDM1A
SCHEMBL862934 0.82 SMN1; SMN2 (1.00) SMN1; SMN2NPSR1HRH3EPHX2KDM1A
SCHEMBL25021708 0.82 SMN1; SMN2 (1.00) SMN1; SMN2NPSR1HRH3EPHX2KDM1A
SCHEMBL1600902 0.82 SMN1; SMN2 (1.00) SMN1; SMN2NPSR1HRH3EPHX2KDM1A
SCHEMBL14544486 0.82 SMN1; SMN2 (1.00) SMN1; SMN2NPSR1HRH3EPHX2KDM1A
SCHEMBL13794162 0.82 SMN1; SMN2 (1.00) SMN1; SMN2NPSR1HRH3EPHX2KDM1A
Hydrochloric Acid SCHEMBL28254537 0.80 SMN1; SMN2 (0.96) SMN1; SMN2NPSR1HRH3EPHX2KDM1A

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-5763621-A Metalloproteinase inhibitors BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-06-09 US disclosed