SCHEMBL8625830

SCHEMBL8625830

OC[C@@H]1COC2(CCCCC2)O1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
GAA P10253 1/20 0.53
HTR1A P08908 5/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
ADRA1D P25100 4/20 0.42
ADRA1B P35368 4/20 0.42
ALDH1A1 P00352 2/20 0.40
BRD4 O60885 1/20 0.40
ABL1 P00519 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
RIN1 Q13671 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADRA1A P35348 3/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL1487109 1.00 PABPC1 (0.53) PABPC1CTDSP1GAAHTR1ATMEM97
SCHEMBL714617 1.00 PABPC1 (0.53) PABPC1CTDSP1GAAHTR1ATMEM97
SCHEMBL8200760 1.00 PABPC1 (0.53) PABPC1CTDSP1GAAHTR1ATMEM97
SCHEMBL8192982 1.00 PABPC1 (0.53) PABPC1CTDSP1GAAHTR1ATMEM97
SCHEMBL6218416 0.98 GAA (0.50) PABPC1CTDSP1GAAHTR1ATMEM97
SCHEMBL6580747 0.98 GAA (0.50) PABPC1CTDSP1GAAHTR1ATMEM97
Methacrylic Acid SCHEMBL8199915 0.85 PABPC1 (0.46) PABPC1CTDSP1GAAHTR1ATMEM97
SCHEMBL8637708 0.84 GAA (0.50) PABPC1CTDSP1GAAHTR1ATMEM97
SCHEMBL18885118 0.81 PABPC1 (0.59) PABPC1CTDSP1GAAHTR1ATMEM97
SCHEMBL13381099 0.81 PABPC1 (0.59) PABPC1CTDSP1GAAHTR1ATMEM97

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-0823891-A1 ACETYLSALICYLIC ACID NITRATES BAYER AG (DE) 1998-02-18 EP disclosed
WO-1996034848-A1 ACETYLSALICYLIC ACID NITRATES BAYER AKTIENGESELLSCHAFT (DE) 1996-11-07 WO disclosed