SCHEMBL8580928

SCHEMBL8580928

CCC1C=Cc2ccccc21.CCCCC#Cc1ccc2c(c1)-c1ccccc1C2[Zr]

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
HTR6 P50406 1/20 0.30
PRKCG P05129 1/20 0.30
PRKCB P05771 1/20 0.30
PRKCA P17252 1/20 0.30
PRKCE Q02156 1/20 0.30
PRKCD Q05655 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
Hydrochloric Acid SCHEMBL8580574 0.83 TNK2 (0.31) TNK2NPC1MAPTRAB9AHTR6
SCHEMBL8580933 0.71
SCHEMBL29554562 0.69 HTR6 (0.53) HTR6
SCHEMBL1539616 0.69 HTR6 (0.53) HTR6
Hydrochloric Acid SCHEMBL8580579 0.69 NPC1 (0.31) NPC1MAPTRAB9A
SCHEMBL20944811 0.68 HTR6 (0.51) HTR6
SCHEMBL29821974 0.68 HTR6 (0.51) HTR6
Hydrochloric Acid SCHEMBL6557727 0.66 HTR6 (0.42) HTR6
SCHEMBL8580931 0.66
SCHEMBL3385177 0.65 HTR6 (0.49) HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5830958-A Polynuclear metallocene preparation and use PHILLIPS PETROLEUM COMPANY (US) 1998-11-03 US disclosed
US-5705578-A Method for making and using a supported metallocene catalyst system PHILLIPS PETROLEUM COMPANY (US) 1998-01-06 US disclosed