SCHEMBL6903953

SCHEMBL6903953

CCc1ccc2c(c1)C([Zr](=C(c1ccccc1)c1ccccc1)C1C(C)=C(C)c3ccccc31)c1cc(CC)ccc1-2

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDK2 Q15119 1/20 0.32
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
HTT P42858 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
SCHEMBL6905173 0.87 MEN1 (0.32) LMNA
SCHEMBL6903075 0.86 NPC1 (0.34) NPC1LMNARAB9A
Hydrochloric Acid SCHEMBL8384503 0.86 MEN1 (0.31) LMNA
SCHEMBL6903066 0.82 L3MBTL1 (0.34) NPC1ALDH1A1LMNAMAPTRAB9A
Hydrochloric Acid SCHEMBL19056287 0.79 EDNRB (0.32) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL6904680 0.78 BCL2 (0.32) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL6903385 0.78 NPC1 (0.33) NPC1ALDH1A1LMNAMAPTMAPK1
SCHEMBL5078596 0.77 NPC1 (0.30) NPC1RAB9APDK2
SCHEMBL6899957 0.77 RAB9A (0.31) NPC1RAB9AL3MBTL1PDK2
SCHEMBL6905233 0.77 NPC1 (0.31) NPC1ALDH1A1LMNAMAPTMAPK1

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
EP-1473323-A1 Polyethylene composition and process for producing same Tosoh Corporation (JP) 2004-11-03 EP disclosed