SCHEMBL6826162

SCHEMBL6826162

O=C1C(=CCC2CC2)Oc2cccc(OCCCCBr)c21

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
STK17B O94768 2/20 0.37
PNLIP P16233 1/20 0.36
KCNA3 P22001 1/20 0.33
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
CSF1R P07333 1/20 0.31
KDR P35968 1/20 0.31
TYR P14679 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
SCHEMBL6826534 0.78 KDM4E (0.46) STK17BPNLIPKCNA3MAOAMAOB
SCHEMBL6826531 0.78 KDM4E (0.46) STK17BPNLIPKCNA3MAOAMAOB
SCHEMBL6824994 0.78 STK17B (0.40) STK17BPNLIPKCNA3MAOAMAOB
SCHEMBL6823670 0.76 STK17B (0.42) STK17BPNLIPKCNA3MAOAMAOB
SCHEMBL6824412 0.75 MAOA (0.35) STK17BPNLIPKCNA3MAOAMAOB
SCHEMBL6823893 0.74 HTR7 (0.45)
SCHEMBL6820563 0.74 KCNA3 (0.39) STK17BPNLIPKCNA3MAOAMAOB
SCHEMBL6824998 0.74 STK17B (0.40) STK17BPNLIPKCNA3
SCHEMBL6826161 0.73 MTNR1A (0.35) STK17BKCNA3MAOAMAOB
SCHEMBL6823716 0.72 KCNA3 (0.38) STK17BKCNA3MAOAMAOBCSF1R

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