SCHEMBL971785

SCHEMBL971785

C=CCN(CC=C)c1ccc([SiH3])cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.43
GAA P10253 1/20 0.33
PTPN1 P18031 2/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
CYP1A2 P05177 1/20 0.32
CRHR1 P34998 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ALDH3A1 P30838 1/20 0.30
ALDH1A3 P47895 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
SCHEMBL851567 0.88 CHKA (0.50) CHKAGAAPTPN1CNR1CNR2
SCHEMBL6692403 0.81 CHKA (0.46) CHKAGAAPTPN1CNR1CNR2
SCHEMBL6466250 0.81 CHKA (0.46) CHKAGAAPTPN1CNR1CNR2
SCHEMBL7162904 0.81 CHKA (0.46) CHKAGAAPTPN1CNR1CNR2
SCHEMBL5147075 0.80 CHKA (0.42) CHKAGAAPTPN1CNR1CNR2
SCHEMBL5611650 0.79 ALDH1A1 (0.52) CHKAGAACRHR1SMN1; SMN2ALDH1A1
SCHEMBL127344 0.77 ALDH1A1 (0.52) CHKAGAAPTPN1CNR1CNR2
SCHEMBL1018958 0.77 ESR1 (0.45) CHKAGAAPTPN1CYP1A2ALDH1A1
SCHEMBL608140 0.77 ALDH1A1 (0.50) CHKAGAAPTPN1CNR1CNR2
SCHEMBL8001371 0.77 PYCR1 (0.50) CHKAGAAPTPN1CRHR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394737-B2 Preparation of activating supports TOTAL PETROCHEMICALS RESEARCH FELUY Seneffe (BE) 2013-03-12 US disclosed
US-20110009582-A1 Preparation of Activating Supports TOTAL PETROCHEMICALS RESEARCH FELUY (BE) 2011-01-13 US disclosed
EP-2025403-A1 Preparation of activating supports TOTAL PETROCHEMICALS RESEARCH FELUY (BE) 2009-02-18 EP disclosed