SCHEMBL9166202

SCHEMBL9166202

CCOC(OCC)C1CCc2c(Oc3ccccc3)cccc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.40
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
BRD4 O60885 6/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 2/20 0.36
HTT P42858 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
UCHL1 P09936 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
CARM1 Q86X55 1/20 0.35
PTGS2 P35354 1/20 0.34

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
SCHEMBL9164474 0.72 FFAR1 (0.40) HTR2CHTR2BTSHRUCHL1CARM1
SCHEMBL7041221 0.70 ADORA2A (0.42) KDM4ELMNAMAPTTSHRALDH1A1
SCHEMBL3628910 0.68 BRD4 (0.46) BRD4KDM4ELMNAALDH1A1PTGS2
SCHEMBL9163905 0.66 BRD4 (0.56) BRD4TSHR
SCHEMBL15700133 0.63 CYP19A1 (0.67) CYP19A1HTR2CKDM4ELMNAPOLB
SCHEMBL10583512 0.60 LTA4H (0.48) LMNAPOLBTSHRHTTALDH1A1
SCHEMBL5275161 0.60 ACHE (0.73) CYP19A1KDM4ELMNAPOLBMAPT
SCHEMBL9933801 0.60 HTR1A (0.46) HTR2CHTR2BUCHL1HCRTR1HCRTR2
SCHEMBL13518494 0.60 HTR1A (0.46) HTR2CHTR2BUCHL1HCRTR1HCRTR2
SCHEMBL3822324 0.60 CYP19A1 (0.62) CYP19A1KDM4ELMNAPOLBMAPT

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-0408760-B1 NEW HYDROXYLAMINE DERIVATIVE FUJISAWA PHARMACEUTICAL CO (JP) 1995-03-15 EP disclosed
EP-0408760-A1 NEW HYDROXYLAMINE DERIVATIVE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-01-23 EP disclosed