SCHEMBL9038245

SCHEMBL9038245

COC(=O)c1ccc(C(C)Oc2ccccc2C(C)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
SLC6A3 Q01959 1/20 0.46
TSHR P16473 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
RAB9A P51151 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 1/20 0.42
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
HPGD P15428 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
SCHEMBL14967136 0.83 L3MBTL1 (0.55) TSHRLMNARAB9AL3MBTL1MAPT
SCHEMBL14967228 0.83 TSHR (0.47) SLC6A3TSHRLMNARAB9AL3MBTL1
SCHEMBL14967047 0.82 ALDH1A1 (0.50) TSHRLMNASMN1; SMN2RAB9AL3MBTL1
SCHEMBL17319608 0.78 SMN1; SMN2 (0.46) ADRA2AADRA2BTSHRLMNASMN1; SMN2
SCHEMBL14972056 0.78 TSHR (0.56) TSHRSMN1; SMN2RAB9AL3MBTL1MAPT
SCHEMBL14966893 0.78 TSHR (0.56) TSHRSMN1; SMN2RAB9AL3MBTL1MAPT
SCHEMBL1555274 0.77 SMN1; SMN2 (0.55) SLC6A3TSHRLMNASMN1; SMN2RAB9A
SCHEMBL8409673 0.76 MGLL (0.47) TSHRLMNASMN1; SMN2RAB9AMAPT
SCHEMBL2094692 0.75 IRAK4 (0.72) ADRA2AADRA2BADRA2CTSHRIRAK4
SCHEMBL29523814 0.75 LTB4R (0.57) TSHRSMN1; SMN2RAB9AL3MBTL1MAPT

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-0729466-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1996-09-04 EP disclosed
WO-1995014014-A2 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed