SCHEMBL9564637

SCHEMBL9564637

OC(COc1ccccc1)C(O)COc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.68
RECQL P46063 2/20 0.56
ALDH1A1 P00352 1/20 0.56
SCN4A P35499 2/20 0.54
CYP2D6 P10635 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ADRB2 P07550 1/20 0.53
ADRB1 P08588 1/20 0.53
ADRB3 P13945 1/20 0.53
KDM4E B2RXH2 1/20 0.52
MAPT P10636 2/20 0.50
TSHR P16473 1/20 0.50
HIF1A Q16665 1/20 0.50
KCNA3 P22001 1/20 0.50
MAOA P21397 1/20 0.50
PTGS1 P23219 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MTNR1A P48039 2/20 0.48
MTNR1B P49286 2/20 0.48

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
SCHEMBL551186 0.91 LMNA (0.59) LMNARECQLALDH1A1SCN4ACYP2D6
SCHEMBL2856045 0.87 LMNA (0.59) LMNARECQLALDH1A1SCN4ACYP2D6
SCHEMBL738552 0.87 LMNA (0.59) LMNARECQLALDH1A1SCN4ACYP2D6
SCHEMBL12869056 0.87 LMNA (0.70) LMNAALDH1A1SCN4ACYP2D6L3MBTL1
SCHEMBL8187180 0.87 LMNA (0.70) LMNAALDH1A1SCN4ACYP2D6L3MBTL1
SCHEMBL345402 0.85 LMNA (0.68) LMNARECQLALDH1A1SCN4ACYP2D6
SCHEMBL267463 0.85 LMNA (0.68) LMNARECQLSCN4ACYP2D6L3MBTL1
SCHEMBL11128290 0.85 LMNA (0.57) LMNARECQLSCN4ACYP2D6L3MBTL1
SCHEMBL11612204 0.85 LMNA (0.57) LMNARECQLALDH1A1SCN4ACYP2D6
SCHEMBL8651047 0.84 LMNA (0.52) LMNARECQLALDH1A1SCN4ACYP2D6

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
JP-5278343-A None JP disclosed
JP-H05278343-A THERMAL RECORDING MATERIAL RICOH CO LTD 1993-10-26 JP disclosed