SCHEMBL6904598

SCHEMBL6904598

CC1=Cc2cc(C)ccc2C1[Zr](=C(c1ccccc1)c1ccccc1)C1c2ccccc2-c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PPIA P62937 2/20 0.31
PKM P14618 1/20 0.31
PDK2 Q15119 1/20 0.31
EDNRB P24530 1/20 0.30
EDNRA P25101 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL6904422 0.92 NPC1 (0.34) NPC1RAB9APKMSMN1; SMN2
SCHEMBL6903992 0.90 NPC1 (0.34) NPC1RAB9ALMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL8380990 0.87 LMNA (0.33) LMNAMEN1KMT2A
SCHEMBL6897223 0.85 CNR1 (0.32) NPC1RAB9ALMNA
SCHEMBL6899957 0.85 RAB9A (0.31) NPC1RAB9APDK2
SCHEMBL6905967 0.83 NPC1 (0.34) NPC1RAB9ALMNAPKM
SCHEMBL6904043 0.80 CNR2 (0.33) NPC1RAB9ALMNAEDNRBEDNRA
SCHEMBL6905185 0.80 MEN1 (0.30) LMNAMEN1KMT2A
SCHEMBL6904067 0.79
Hydrochloric Acid SCHEMBL17698555 0.78

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