SCHEMBL8635594

SCHEMBL8635594

CC(Oc1ccc2c(=O)c(-c3ccccc3)coc2c1)C(=O)O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 6/20 0.83
ALDH1A1 P00352 9/20 0.80
MAPT P10636 6/20 0.80
SMN1; SMN2 Q16637 6/20 0.80
NPC1 O15118 5/20 0.80
RAB9A P51151 5/20 0.80
MEN1 O00255 4/20 0.80
KMT2A Q03164 4/20 0.80
POLB P06746 3/20 0.80
MAPK1 P28482 2/20 0.80
GAA P10253 2/20 0.80
HDAC6 Q9UBN7 2/20 0.80
PTGS1 P23219 1/20 0.80
SLC6A2 P23975 1/20 0.80
STAT1 P42224 1/20 0.80
CASP3 P42574 1/20 0.80
HTT P42858 1/20 0.80
HIF1A Q16665 1/20 0.80
SENP8 Q96LD8 1/20 0.80
SENP7 Q9BQF6 1/20 0.80

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
SCHEMBL10622365 0.91 ALDH2 (1.00) ALDH2ALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL10622990 0.90 ALDH2 (0.78) ALDH2ALDH1A1MAPTSMN1; SMN2NPC1
Ipriflavone SCHEMBL29485035 0.89 ALDH1A1 (1.00) ALDH2ALDH1A1MAPTSMN1; SMN2NPC1
Ipriflavone SCHEMBL111472 0.89 ALDH1A1 (1.00) ALDH2ALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL10802161 0.88 ALDH2 (0.72) ALDH2ALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL10713380 0.88 ALDH2 (0.82) ALDH2ALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL28048765 0.86 ALDH1A1 (0.77) ALDH2ALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL27486577 0.85 MAPT (0.71) ALDH2ALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL11557001 0.84 ALDH1A1 (0.78) ALDH2ALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL2070406 0.82 NPC1 (1.00) ALDH2ALDH1A1MAPTSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116448933-A Metabolite marker combination and method for deducing blood trace remaining time in 24 hours 山西医科大学 2023-07-18 CN claimed
US-4644012-A WITH 3-PHENYL-4H-1-BENZOPYRAN-4-ONE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-02-17 US claimed
EP-0146922-A2 Benzopyran-4-on derivatives and their production Takeda Chemical Industries, Ltd. (JP) 1985-07-03 EP claimed
WO-1998024419-A1 IPRIFLAVONE COMPOSITION Chinoin Gyógyszer és Vegyészeti Termékek Gyára Rt. (HU) 1998-06-11 WO disclosed
US-4772627-A AMORPHOUS DRUG AND ADSORBENT, IMPROVED DISSOLUTION AND ADSORPTION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-09-20 US disclosed
US-4644012-A WITH 3-PHENYL-4H-1-BENZOPYRAN-4-ONE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-02-17 US disclosed
EP-0146921-A2 Method for treating osteoporosis Takeda Chemical Industries, Ltd. (JP) 1985-07-03 EP disclosed
EP-0146922-A2 Benzopyran-4-on derivatives and their production Takeda Chemical Industries, Ltd. (JP) 1985-07-03 EP disclosed
EP-0129893-A2 Ground mixture Takeda Chemical Industries, Ltd. (JP) 1985-01-02 EP disclosed