SCHEMBL7780978

SCHEMBL7780978

C[GeH](C)[Ti](Cl)(Cl)(c1cccc2c1Cc1ccccc1-2)c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
PGR P06401 1/20 0.37
HTR7 P34969 1/20 0.35
HTR2B P41595 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
MAOA P21397 1/20 0.32
DRD3 P35462 2/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
BCHE P06276 2/20 0.32
ACHE P22303 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32

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
SCHEMBL7578182 0.83 PNMT (0.43) PNMTNPC1RAB9APGRHTR7
SCHEMBL714924 0.81 NPC1 (0.48) PNMTNPC1RAB9APGRHTR7
SCHEMBL714249 0.77 PNMT (0.42) PNMTNPC1RAB9APGRHTR7
SCHEMBL396687 0.77 PNMT (0.42) PNMTNPC1RAB9APGRHTR7
SCHEMBL7201387 0.77 PNMT (0.42) PNMTNPC1RAB9APGRHTR7
SCHEMBL7754800 0.75 PNMT (0.50) PNMTNPC1RAB9APGRHTR7
SCHEMBL9222498 0.74 PNMT (0.43) PNMTNPC1RAB9APGRHTR7
SCHEMBL7575501 0.74 PNMT (0.43) PNMTNPC1RAB9APGRHTR7
Hydrochloric Acid SCHEMBL396688 0.73 PNMT (0.49) PNMTNPC1RAB9APGRHTR7
Hydrochloric Acid SCHEMBL7780981 0.73 PNMT (0.49) PNMTNPC1RAB9APGRHTR7

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
EP-0604908-B1 Process for the polymerisation of alpha-olefins using metallocene compounds having ligands of fluorenylic type BASELL TECHNOLOGY CO BV (NL) 2001-09-19 EP disclosed
EP-0604908-A2 Metallocene compounds having ligands of fluorenylic type Montell Technology Company bv (NL) 1994-07-06 EP disclosed