SCHEMBL8044902

SCHEMBL8044902

Fc1cc2c(c(-n3cccc3)c1)OC(COC1CCCCO1)CC2

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
KDM4C Q9H3R0 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
SCHEMBL8046949 0.82 L3MBTL1 (0.38) L3MBTL1KDM4C
SCHEMBL8045648 0.78 L3MBTL1 (0.35) L3MBTL1
SCHEMBL8046730 0.77 MLNR (0.32)
SCHEMBL27456756 0.72 KDM4E (0.31)
SCHEMBL10508354 0.66 CA2 (0.38) L3MBTL1KDM4C
SCHEMBL26126355 0.66 CYP1A2 (0.37) L3MBTL1KDM4C
SCHEMBL283701 0.66 CYP1A2 (0.37) L3MBTL1KDM4C
SCHEMBL27374326 0.63 NFKB1 (0.31)
SCHEMBL25366018 0.62 L3MBTL1 (0.32) L3MBTL1
SCHEMBL10506002 0.62 PRMT5 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6100268-A MIGRAINES JANSSEN PHARMACEUTICA, N.V. (BE) 2000-08-08 US disclosed
EP-0714396-A1 VASOCONTRICTIVE DIHYDROBENZOPYRAN DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1996-06-05 EP disclosed
WO-1995005383-A1 VASOCONTRICTIVE DIHYDROBENZOPYRAN DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1995-02-23 WO disclosed