SCHEMBL7362123

SCHEMBL7362123

CC(C)C(c1ccc(Br)cc1)c1c(O)c2ccccc2oc1=O

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 11/20 0.64
CYP2C9 P11712 2/20 0.64
CRHBP P24387 1/20 0.64
CASP7 P55210 1/20 0.64
CASP6 P55212 1/20 0.64
CRHR2 Q13324 1/20 0.64
HIF1A Q16665 1/20 0.64
TOP1 P11387 1/20 0.64
TOP2A P11388 1/20 0.61
VKORC1 Q9BQB6 1/20 0.60
KDM4E B2RXH2 1/20 0.60
POLB P06746 1/20 0.60
THRB P10828 1/20 0.58

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
SCHEMBL8336015 0.96 THRB (0.64) NQO1CYP2C9CRHBPCASP7CASP6
SCHEMBL7355322 0.89 VKORC1 (0.74) NQO1CYP2C9CRHBPCASP7CASP6
SCHEMBL12028810 0.87 NQO1 (0.86) NQO1CYP2C9CRHBPCASP7CASP6
SCHEMBL8336582 0.84 VKORC1 (0.74) NQO1CYP2C9CRHBPCASP7CASP6
SCHEMBL18126686 0.80 NQO1 (0.78) NQO1CYP2C9CRHBPCASP7CASP6
SCHEMBL8335244 0.80 THRB (0.78) NQO1CYP2C9CRHBPCASP7CASP6
SCHEMBL14172134 0.79 NQO1 (0.68) NQO1CYP2C9CRHBPCASP7CASP6
SCHEMBL8337124 0.79 CYP2C9 (0.77) NQO1CYP2C9TOP1VKORC1KDM4E
SCHEMBL4385323 0.79 NQO1 (1.00) NQO1CYP2C9CRHBPCASP7CASP6
SCHEMBL8523615 0.79 THRB (0.70) NQO1CYP2C9VKORC1KDM4EPOLB

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 12 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-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed
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 disclosed
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