SCHEMBL9544157

SCHEMBL9544157

CCOC(=O)C[C@H]1CCOCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 5/20 0.40
MIF P14174 1/20 0.38
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
RECQL P46063 1/20 0.36
CYP2D6 P10635 1/20 0.35
TRPA1 O75762 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KCNH2 Q12809 1/20 0.33
GRIN2B Q13224 1/20 0.33

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
SCHEMBL28474394 0.84 GAA (0.43) TSHRPOLBLMNAALDH1A1MIF
SCHEMBL1585076 0.79 LMNA (0.51) TSHRPOLBLMNAALDH1A1RAB9A
SCHEMBL1961403 0.78 POLB (0.46) POLBLMNAALDH1A1L3MBTL1HPGD
SCHEMBL29878165 0.77 POLB (0.45) POLBLMNAALDH1A1L3MBTL1HPGD
SCHEMBL7803427 0.76
SCHEMBL7804568 0.76
SCHEMBL3062283 0.76
SCHEMBL2375033 0.76 PIK3CD (0.30)
SCHEMBL27298747 0.75 MGAM (0.41) TSHRPOLBLMNAALDH1A1MIF
SCHEMBL534088 0.75 TSHR (0.45) TSHRPOLBLMNAALDH1A1MIF

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-1993008823-A1 GUANIDINYL AND RELATED CELL ADHESION MODULATION COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 1993-05-13 WO disclosed