SCHEMBL30334888

SCHEMBL30334888

COc1cc(O)c2c(c1)C(=O)c1cc(C)ccc1C2=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 7/20 0.73
▸ ALDH1A1 P00352 4/20 0.73
▸ MAPT P10636 3/20 0.73
▸ ALOX15 P16050 2/20 0.73
▸ KDM4E B2RXH2 2/20 0.73
▸ LCK P06239 2/20 0.73
▸ GLA P06280 1/20 0.73
▸ HPGD P15428 1/20 0.73
▸ ACLY P53396 3/20 0.53
▸ CYP3A4 P08684 3/20 0.50
▸ PIM1 P11309 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ MAOA P21397 2/20 0.50
▸ MAOB P27338 2/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ NPC1 O15118 1/20 0.50

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
SCHEMBL16225959 1.00 ELANE (0.73) ELANEALDH1A1MAPTALOX15KDM4E
SCHEMBL30140513 0.86 ELANE (0.90) ELANEALDH1A1MAPTALOX15KDM4E
SCHEMBL16226000 0.86 ELANE (0.90) ELANEALDH1A1MAPTALOX15KDM4E
Physcion SCHEMBL486155 0.84 ELANE (1.00) ELANEALDH1A1MAPTALOX15KDM4E
SCHEMBL16227266 0.84 MAPT (0.67) ELANEALDH1A1MAPTALOX15KDM4E
Physcion SCHEMBL30425832 0.84 ELANE (1.00) ELANEALDH1A1MAPTALOX15KDM4E
Physcion SCHEMBL29404320 0.84 ELANE (1.00) ELANEALDH1A1MAPTALOX15KDM4E
SCHEMBL7172505 0.84 LCK (1.00) ELANEALDH1A1MAPTALOX15KDM4E
SCHEMBL16226983 0.82 ELANE (0.83) ELANEALDH1A1MAPTALOX15KDM4E
SCHEMBL23198984 0.82 ELANE (0.68) ELANEALDH1A1MAPTALOX15KDM4E

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-2023064318-A1 BIPHASIC COMPOSITIONS COMPRISING ONE OR BOTH OF CARBONATE AND PHOSPHATE Natural Extraction Systems, LLC (US) 2023-04-20 — — WO claimed
Send feedback