SCHEMBL28664743

SCHEMBL28664743

COc1ccc(CCc2cc(=O)c3cc(O)cc(Cl)c3o2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 2/20 0.54
▸ PPARG P37231 2/20 0.50
▸ HTR2C P28335 1/20 0.47
▸ HTR2B P41595 1/20 0.47
▸ CALM1 P0DP23 1/20 0.46
▸ SLC5A1 P13866 1/20 0.41
▸ SLC5A2 P31639 1/20 0.41
▸ ALOX5 P09917 5/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CSNK2A2 P19784 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CSNK2B P67870 1/20 0.41
▸ CSNK2A1 P68400 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ KMT2A Q03164 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
SCHEMBL30739471 0.88 PDE5A (0.56) PDE5APPARGHTR2CHTR2BCALM1
SCHEMBL29128891 0.88 PDE5A (0.56) PDE5APPARGHTR2CHTR2BCALM1
SCHEMBL28489823 0.84 PPARG (0.55) PDE5APPARGHTR2BALOX15
SCHEMBL30499855 0.80 PPARG (0.70) PDE5APPARGHTR2CHTR2BALOX15
SCHEMBL28663455 0.80 PPARG (0.70) PDE5APPARGHTR2CHTR2BALOX15
SCHEMBL29129664 0.77 PPARG (0.70) PPARGHTR2CHTR2BMEN1NPC1
SCHEMBL16983578 0.76 HTR2B (0.62) PDE5APPARGHTR2CHTR2BCALM1
SCHEMBL30739467 0.76 PPARG (0.64) PDE5APPARGHTR2CHTR2BALOX15
SCHEMBL16983386 0.76 PPARG (0.64) PDE5APPARGHTR2CHTR2BALOX15
SCHEMBL29128886 0.74 CYP19A1 (0.50) PDE5AALOX15MEN1MAPTNFKB1

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
CN-108752302-B Application of 2- (2-phenethyl) chromone compound in agilawood 广州大学 2021-09-24 — — CN disclosed
Send feedback