SCHEMBL8408797

SCHEMBL8408797

CC(C)CC(CC(C)C)O[Ti](=O)O

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CACNA2D2 Q9NY47 1/20 0.31
RNPEP Q9H4A4 1/20 0.31
SLC7A5 Q01650 1/20 0.31
ANPEP P15144 3/20 0.30
LAP3 P28838 2/20 0.30
ERAP1 Q9NZ08 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
SCHEMBL8406999 0.74
SCHEMBL37000 0.69
SCHEMBL1450090 0.63
SCHEMBL717759 0.63 ANPEP (0.40) ANPEP
SCHEMBL38322 0.63
SCHEMBL16468814 0.63
SCHEMBL3717052 0.62 TSHR (0.39) ANPEPERAP1
SCHEMBL686634 0.62
SCHEMBL756656 0.62 TSHR (0.50) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL717782 0.61 ALDH1A1 (0.33) ANPEP

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-0934980-A1 Organosiloxane compositions DOW CORNING S.A. (BE) 1999-08-11 EP disclosed
US-5908909-A TITANATE CONTAINING AT LEAST ONE 2,4-DIMETHYL-3-PENTOXY GROUP AS CURING CATALYST DOW CORNING S. A. (BE) 1999-06-01 US disclosed