SCHEMBL6820563

SCHEMBL6820563

O=C1C(=C2CC2)Oc2cccc(OCCCCBr)c21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.39
CSF1R P07333 1/20 0.33
KDR P35968 1/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
STK17B O94768 1/20 0.32
MTNR1A P48039 2/20 0.32
PNLIP P16233 1/20 0.31
TTR P02766 1/20 0.30

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
SCHEMBL6823716 0.95 KCNA3 (0.38) KCNA3CSF1RKDRMAOAMAOB
SCHEMBL6820565 0.77 KCNA3 (0.36) KCNA3CSF1RKDRMAOAMAOB
SCHEMBL6824412 0.76 MAOA (0.35) KCNA3MAOAMAOBSTK17BMTNR1A
SCHEMBL6824998 0.75 STK17B (0.40) KCNA3STK17BPNLIP
SCHEMBL6823667 0.74 KCNA3 (0.37) KCNA3CSF1RKDRMAOAMAOB
SCHEMBL6826534 0.74 KDM4E (0.46) KCNA3CSF1RKDRMAOAMAOB
SCHEMBL6826531 0.74 KDM4E (0.46) KCNA3CSF1RKDRMAOAMAOB
SCHEMBL6826162 0.74 STK17B (0.37) KCNA3CSF1RKDRMAOAMAOB
SCHEMBL6826161 0.74 MTNR1A (0.35) KCNA3MAOAMAOBSTK17BMTNR1A
SCHEMBL6824996 0.73 STK17B (0.36) KCNA3MAOAMAOBSTK17BMTNR1A

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