SCHEMBL8587643

SCHEMBL8587643

COc1ccc(OC(=O)C2(C)CCCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 2/20 0.40
CYP2C9 P11712 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL8586762 0.98 FAAH (0.43) FAAHTRPV1CES2CES1KMT2A
SCHEMBL8584103 0.87 KDM2B (0.46) SLC6A3KMT2AMEN1CYP3A4LMNA
SCHEMBL27807027 0.86 MAPT (0.50) SLC6A3KMT2AMEN1LMNAMAPT
SCHEMBL3398883 0.85 FAAH (0.42) FAAHTRPV1KMT2AMEN1LMNA
SCHEMBL27745498 0.84 KDM4E (0.49) FAAHTRPV1CYP3A4HPGDMAPT
SCHEMBL8585753 0.84 ALDH1A1 (0.44) SLC6A4CES2CES1KMT2ACYP2C19
SCHEMBL27796546 0.82 L3MBTL1 (0.48) FAAHTRPV1CYP3A4HPGDMAPT
SCHEMBL2841534 0.82 CES2 (0.45) CES2CES1KMT2AMEN1LMNA
SCHEMBL14040096 0.81 CES2 (0.52) CES2CES1KMT2AMEN1LMNA
SCHEMBL8586010 0.80 ALDH1A1 (0.47) MAPTALDH1A1POLBHTTSMN1; SMN2

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-1998031697-A1 ARYL C-GLYCOSIDE COMPOUNDS AND SULFATED ESTERS THEREOF SANKYO COMPANY, LIMITED (JP) 1998-07-23 WO disclosed