SCHEMBL9733519

SCHEMBL9733519

C=CCc1cc(C(=O)CO)ccc1OC

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.56
KDM4E B2RXH2 1/20 0.50
ALOX5 P09917 3/20 0.49
GABRA1 P14867 3/20 0.48
GABRB2 P47870 3/20 0.48
CNR2 P34972 2/20 0.48
ELANE P08246 1/20 0.47
PTGS1 P23219 1/20 0.46
MAPT P10636 1/20 0.45
MEN1 O00255 1/20 0.45
CYP3A4 P08684 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 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
SCHEMBL9349305 0.87 PTPN1 (0.55) PTPN1KDM4EALOX5GABRA1GABRB2
SCHEMBL4982250 0.86 PTPN1 (0.60) PTPN1KDM4EALOX5GABRA1GABRB2
SCHEMBL4981784 0.85 ALDH1A1 (0.61) PTPN1ALOX5PTGS1MEN1KMT2A
SCHEMBL27660352 0.84 PTPN1 (0.54) PTPN1ALOX5MEN1KMT2A
SCHEMBL3542900 0.84 PTPN1 (0.57) PTPN1ALOX5GABRA1GABRB2CNR2
SCHEMBL9417984 0.82 CNR2 (0.53) KDM4ECNR2MAPTL3MBTL1
SCHEMBL9417845 0.82 CNR2 (0.50) KDM4ECNR2L3MBTL1
SCHEMBL9734673 0.82 PTGDR (0.45) PTPN1KDM4EELANEMAPTMEN1
SCHEMBL9417760 0.82 KDM4E (0.50) KDM4ECNR2ELANEMAPTMEN1
SCHEMBL4979459 0.82 HSP90AA1 (0.58) PTPN1KDM4EALOX5GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112661738-B Flavanone compound and preparation method and application thereof 南方医科大学 2023-01-10 CN disclosed
CN-112661738-A Flavanone compound and preparation method and application thereof 南方医科大学 2021-04-16 CN disclosed
US-5098613-A Aromatic ethers for treatment of mammals ELI LILLY AND COMPANY (US) 1992-03-24 US disclosed
US-4945099-A LEUKOTRIENE ANTAGONIST ELI LILLY AND COMPANY (US) 1990-07-31 US disclosed
EP-0276065-B1 ANTI-INFLAMMATORY AGENTS ELI LILLY AND COMPANY (US) 1990-06-06 EP disclosed
EP-0276065-A1 Anti-inflammatory agents ELI LILLY AND COMPANY (US) 1988-07-27 EP disclosed