SCHEMBL4785677

SCHEMBL4785677

NC(=O)C1COCCOCCOCCOc2ccccc2O1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
LMNA P02545 2/20 0.53
CRHBP P24387 2/20 0.53
CRHR2 Q13324 2/20 0.53
HTT P42858 1/20 0.53
GAA P10253 2/20 0.53
NISCH Q9Y2I1 1/20 0.51
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
ITGB2 P05107 1/20 0.44
ICAM1 P05362 1/20 0.44
ITGAL P20701 1/20 0.44
ALOX5 P09917 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL11788057 0.86 SMN1; SMN2 (0.59) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL8487833 0.86 SMN1; SMN2 (0.59) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL7842768 0.85 SMN1; SMN2 (0.45) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL11788341 0.84 NPSR1 (0.50) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL2977327 0.83 NISCH (0.71) SMN1; SMN2HTTNISCHKDM4EMEN1
SCHEMBL30946854 0.83 NISCH (0.71) SMN1; SMN2HTTNISCHKDM4EMEN1
Hydrochloric Acid SCHEMBL17845907 0.82 NISCH (0.69) SMN1; SMN2HTTNISCHKDM4EMEN1
Hydrochloric Acid SCHEMBL11099585 0.82 NISCH (0.69) SMN1; SMN2HTTNISCHKDM4EMEN1
SCHEMBL11617758 0.79 SMN1; SMN2 (0.48) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL11792572 0.78 ALDH1A1 (0.50) SMN1; SMN2LMNACRHBPCRHR2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1150565-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2001-11-07 EP claimed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 WO claimed
WO-2008076491-A3 SENSOR FOR IMPLANTABLE MEDICAL DEVICE MEDTRONIC INC (US) 2008-12-31 WO disclosed
WO-2008076491-A2 SENSOR FOR IMPLANTABLE MEDICAL DEVICE MEDTRONIC, INC. (US) 2008-06-26 WO disclosed