SCHEMBL7362388

SCHEMBL7362388

CC(=O)Oc1ccc(C(C)(C)c2c(O)c3ccccc3oc2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
MAOB P27338 1/20 0.45
KDM4E B2RXH2 7/20 0.45
ALDH1A1 P00352 7/20 0.43
MAPT P10636 5/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 2/20 0.43
ALOX15 P16050 2/20 0.43
POLB P06746 2/20 0.43
HSD17B10 Q99714 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
VKORC1 Q9BQB6 4/20 0.43
NQO1 P15559 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
RECQL P46063 1/20 0.42
MEN1 O00255 2/20 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
SCHEMBL7354341 0.83 KDM4E (0.55) CA12CA9KDM4EALDH1A1MAPT
SCHEMBL12747979 0.74 KDM4E (0.62) CA12CA9KDM4EALDH1A1MAPT
SCHEMBL9204503 0.72 CYP2C9 (0.73) KDM4EALDH1A1KMT2AHSD17B10VKORC1
SCHEMBL7352875 0.72 VKORC1 (0.58) KDM4EALDH1A1KMT2AVKORC1NQO1
SCHEMBL7352871 0.72 CYP2C9 (0.73) KDM4EALDH1A1KMT2AHSD17B10VKORC1
SCHEMBL8761204 0.72 KDM4E (0.51) CA12CA9MAOBKDM4EALDH1A1
SCHEMBL2335333 0.71 ELANE (0.59) KDM4EALDH1A1MAPTKMT2AGAA
SCHEMBL5491320 0.71 LMNA (0.59) KDM4EALDH1A1MAPTKMT2AGAA
SCHEMBL10629411 0.71 LMNA (0.59) KDM4EALDH1A1MAPTKMT2AGAA
SCHEMBL8760962 0.71 NQO1 (0.50) CA12CA9MAOBKDM4EALDH1A1

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
EP-0682663-B1 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS UPJOHN CO (US) 2001-04-18 EP claimed
US-5686486-A 4-hydroxy-benzopyran-2-ones and 4-hydroxy-cycloalkyl b!pyran-2-ones useful to treat retroviral infections PHARMACIA & UPJOHN COMPANY (US) 1997-11-11 US claimed
CN-1117291-A 4-Hydroxy-pyran-2-one derivatives for the treatment of retroviral infections UPJOHN CO (US) 1996-02-21 CN claimed
EP-0682663-A1 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-22 EP claimed
WO-1994018188-A1 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL[B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS THE UPJOHN COMPANY (US) 1994-08-18 WO claimed
US-5686486-A 4-hydroxy-benzopyran-2-ones and 4-hydroxy-cycloalkyl b!pyran-2-ones useful to treat retroviral infections PHARMACIA & UPJOHN COMPANY (US) 1997-11-11 US disclosed
CN-1117291-A 4-Hydroxy-pyran-2-one derivatives for the treatment of retroviral infections UPJOHN CO (US) 1996-02-21 CN disclosed
EP-0682663-A1 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-22 EP disclosed
WO-1994018188-A1 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL[B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS THE UPJOHN COMPANY (US) 1994-08-18 WO disclosed