SCHEMBL7364468

SCHEMBL7364468

CC1(C)OC[C@H]([C@H](N)CC(=O)O)O1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.34
TMEM97 Q5BJF2 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
TBXA2R P21731 1/20 0.32
TBXAS1 P24557 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31
BLM P54132 1/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
GRIK1 P39086 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
SCHEMBL3332959 0.81 TBXA2R (0.33) CA2TMEM97SIGMAR1TBXA2RTBXAS1
SCHEMBL3332632 0.81 TBXA2R (0.33) CA2TMEM97SIGMAR1TBXA2RTBXAS1
SCHEMBL3332627 0.81 TBXA2R (0.33) CA2TMEM97SIGMAR1TBXA2RTBXAS1
SCHEMBL3465825 0.81 UGT2B7 (0.34) CA2TMEM97SIGMAR1TBXA2RTBXAS1
SCHEMBL10201598 0.79 HCRTR2 (0.34) CA2HCRTR2
SCHEMBL1222860 0.79 CA2 (0.34) CA2
SCHEMBL1946817 0.79 CA2 (0.34) CA2
SCHEMBL1944725 0.79 CA2 (0.34) CA2
SCHEMBL1222856 0.79 CA2 (0.34) CA2
SCHEMBL1946172 0.79 CA2 (0.34) CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0611375-A1 PEPTIDES INHIBITING IL-1 BETA RELEASE SANDOZ LTD. (CH) 1994-08-24 EP disclosed
WO-1993009135-A1 PEPTIDES INHIBITING IL-1 BETA RELEASE SANDOZ LTD. (CH) 1993-05-13 WO disclosed