SCHEMBL6820565

SCHEMBL6820565

CC(C)=C1Oc2cccc(OCCCCBr)c2C1=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.36
STK17B O94768 1/20 0.36
MTNR1A P48039 3/20 0.36
PRKCA P17252 4/20 0.34
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
PNLIP P16233 1/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TTR P02766 1/20 0.32
PTGS2 P35354 2/20 0.32
CSF1R P07333 1/20 0.31
KDR P35968 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL6426238 0.88 KCNA3 (0.37) KCNA3STK17BMTNR1APRKCAMAOA
SCHEMBL6422310 0.87 MTNR1A (0.36) KCNA3STK17BMTNR1APRKCAMAOA
SCHEMBL6823667 0.86 KCNA3 (0.37) KCNA3STK17BMTNR1APRKCAMAOA
SCHEMBL6826161 0.86 MTNR1A (0.35) KCNA3STK17BMTNR1APRKCAMAOA
SCHEMBL6824996 0.85 STK17B (0.36) KCNA3STK17BMTNR1APRKCAMAOA
SCHEMBL6820552 0.84 STK17B (0.35) KCNA3STK17BMTNR1APRKCAMAOA
SCHEMBL6823437 0.84 TSHR (0.41) KCNA3MTNR1ALMNA
SCHEMBL6824412 0.83 MAOA (0.35) KCNA3STK17BMTNR1AMAOAMAOB
SCHEMBL6826208 0.82 F2RL3 (0.41) STK17BPRKCAL3MBTL1
SCHEMBL6824170 0.82 LMNA (0.47) KCNA3STK17BMTNR1APRKCALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004076444-A2 NOVEL HYDROXYCOUMARANONE DERIVATIVES AS ANTITUMOR AND ANTIMETASTATIC F. HOFFMANN-LA ROCHE AG (CH) 2004-09-10 WO disclosed