SCHEMBL2399301

SCHEMBL2399301

OCC1COCCOCCOCCOc2ccccc2O1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
LMNA P02545 2/20 0.55
CRHBP P24387 2/20 0.55
CRHR2 Q13324 2/20 0.55
HTT P42858 2/20 0.55
GAA P10253 1/20 0.50
ITGB2 P05107 1/20 0.45
ICAM1 P05362 1/20 0.45
ITGAL P20701 1/20 0.45
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
DRD1 P21728 1/20 0.44
TBXA2R P21731 1/20 0.44
SLC6A2 P23975 1/20 0.44
ADRA1A P35348 1/20 0.44
DRD3 P35462 1/20 0.44
MTNR1A P48039 1/20 0.42
ALOX5 P09917 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL896627 1.00 SMN1; SMN2 (0.55) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL14777168 0.88 SMN1; SMN2 (0.52) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL896976 0.84 SMN1; SMN2 (0.55) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL11092309 0.84 SMN1; SMN2 (0.55) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL568115 0.83 ADRA2A (0.60) SMN1; SMN2HTTHTR1AADRA2ADRD1
SCHEMBL407539 0.83 ADRA2A (0.60) SMN1; SMN2HTTHTR1AADRA2ADRD1
SCHEMBL30640286 0.83 ADRA2A (0.60) SMN1; SMN2HTTHTR1AADRA2ADRD1
SCHEMBL3266284 0.83 ADRA2A (0.60) SMN1; SMN2HTTHTR1AADRA2ADRD1
SCHEMBL14156093 0.79 SMN1; SMN2 (0.49) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL8746467 0.78 SMN1; SMN2 (0.61) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110236815-A1 COATED CARRIERS XEROX CORPORATION (US) 2011-09-29 US claimed
US-20110236815-A1 COATED CARRIERS XEROX CORPORATION (US) 2011-09-29 US disclosed