SCHEMBL9842234

SCHEMBL9842234

C[C@@H]1[C@@H](C(=O)O)OC(C)(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.35
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HCRTR2 O43614 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
BRD4 O60885 1/20 0.31
HSD17B10 Q99714 1/20 0.30
RECQL P46063 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
SCHEMBL20845234 0.82 SPHK1 (0.37) SPHK1USP2SMN1; SMN2HCRTR2CHRM2
SCHEMBL8551293 0.81 SPHK1 (0.34) SPHK1USP2SMN1; SMN2HCRTR2CHRM2
SCHEMBL14750633 0.81 SPHK1 (0.38) SPHK1USP2SMN1; SMN2HCRTR2
SCHEMBL8554509 0.81 SPHK1 (0.36) SPHK1USP2SMN1; SMN2HCRTR2CHRM2
SCHEMBL5495814 0.80 SPHK1 (0.35) SPHK1HCRTR2
SCHEMBL8145278 0.80 SPHK1 (0.35) SPHK1HCRTR2
SCHEMBL8112146 0.80 SPHK1 (0.35) SPHK1HCRTR2
SCHEMBL8112149 0.80 SPHK1 (0.35) SPHK1HCRTR2
SCHEMBL17356198 0.78 SPHK1 (0.35) SPHK1USP2SMN1; SMN2HCRTR2CHRM2
SCHEMBL15157131 0.78 SPHK1 (0.35) SPHK1USP2SMN1; SMN2HCRTR2CHRM2

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-0454302-A2 Tuftsin derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-10-30 EP disclosed