SCHEMBL5730839

SCHEMBL5730839

CC(C)c1c(C(C)C)c2ccccc2oc1=O

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 6/20 0.56
NQO1 P15559 5/20 0.56
CRHBP P24387 1/20 0.56
CASP7 P55210 1/20 0.56
CASP6 P55212 1/20 0.56
CRHR2 Q13324 1/20 0.56
HIF1A Q16665 1/20 0.56
VKORC1 Q9BQB6 2/20 0.55
TOP1 P11387 1/20 0.51
MGAM O43451 2/20 0.50
GAA P10253 2/20 0.50
SI P14410 2/20 0.50
MGAM2 Q2M2H8 2/20 0.50

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
SCHEMBL15842710 0.85 KDM4E (0.54) CYP2C9NQO1CRHBPCASP7CASP6
SCHEMBL15980779 0.85 KDM4E (0.59) CYP2C9NQO1CRHBPCASP7CASP6
SCHEMBL14078661 0.84 NQO1 (0.73) CYP2C9NQO1CRHBPCASP7CASP6
SCHEMBL32659670 0.77 VKORC1 (0.82) CYP2C9NQO1CRHBPCASP7CASP6
SCHEMBL310481 0.77 VKORC1 (0.82) CYP2C9NQO1CRHBPCASP7CASP6
SCHEMBL13328139 0.76 CYP2C9 (0.41) CYP2C9NQO1CRHBPCASP7CASP6
SCHEMBL10238246 0.76 CA2 (0.42) CYP2C9NQO1CRHBPCASP7CASP6
SCHEMBL14078663 0.75 CYP2C9 (0.72) CYP2C9NQO1CRHBPCASP7CASP6
SCHEMBL1255123 0.74 KDM4E (0.44) CYP2C9NQO1CRHBPCASP7CASP6
SCHEMBL4390609 0.73 NQO1 (1.00) CYP2C9NQO1CRHBPCASP7CASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648901-A1 SUBSTITUTED FUROCHROMENE COMPOUNDS OF ANTIINFLAMMATORY ACTION PLIVA-ISTRAZIVACKI INSTITUT d.o.o. (HR) 2006-04-26 EP disclosed
WO-2005010006-A1 SUBSTITUTED FUROCHROMENE COMPOUNDS OF ANTIINFLAMMATORY ACTION PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-02-03 WO disclosed