SCHEMBL20630769

SCHEMBL20630769

COc1cc(C(C)=O)c(OC)cc1C(C)=O

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.68
CYP3A4 P08684 5/20 0.61
CA9 Q16790 1/20 0.55
TSHR P16473 1/20 0.54
LMNA P02545 2/20 0.52
RAB9A P51151 1/20 0.50
KMT2A Q03164 3/20 0.48
LCK P06239 1/20 0.48
FYN P06241 1/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 2/20 0.47
MAPK1 P28482 2/20 0.47
HSD17B10 Q99714 1/20 0.46
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HMGCR P04035 1/20 0.45

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
SCHEMBL30350316 0.95 CYP3A4 (0.69) HTTCYP3A4CA9TSHRLMNA
SCHEMBL7457674 0.95 CYP3A4 (0.69) HTTCYP3A4CA9TSHRLMNA
SCHEMBL7685964 0.89 HTT (0.57) HTTCYP3A4CA9TSHRLMNA
SCHEMBL12325019 0.88 CA9 (0.59) HTTCYP3A4CA9TSHRLMNA
SCHEMBL17749683 0.87 LCK (0.58) HTTCYP3A4CA9TSHRLMNA
SCHEMBL6742081 0.87 HTT (0.55) HTTCYP3A4CA9TSHRLMNA
SCHEMBL29377307 0.87 LCK (0.58) HTTCYP3A4CA9TSHRLMNA
SCHEMBL30482808 0.86 SRC (0.54) HTTCYP3A4CA9TSHRLMNA
SCHEMBL17363694 0.86 SRC (0.54) HTTCYP3A4CA9TSHRLMNA
SCHEMBL24497291 0.84 HTT (0.62) HTTCYP3A4CA9TSHRLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022118186-A1 SENOTHERAPEUTIC COMPOUND BIONEXA S.R.L. (IT) 2022-06-09 WO disclosed
WO-2019008537-A9 MEDICAL COMPOUNDS VERA SALUS RICERCA S.R.L. (IT) 2020-02-20 WO disclosed
WO-2019008537-A1 MEDICAL COMPOUNDS VERA SALUS RICERCA S.R.L. (IT) 2019-01-10 WO disclosed