SCHEMBL8633044

SCHEMBL8633044

C=C(C(=C)c1ccccc1)c1ccccc1.CN[Ti](C)(C)C1C=Cc2ccccc21.[SiH4]

nearest known ligand 0.30

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CHRM2 P08172 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD2 P14416 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
NFKB1 P19838 1/20 0.30
CHRM3 P20309 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 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
SCHEMBL8631665 0.87
SCHEMBL8523168 0.86
SCHEMBL8678192 0.85 SIGMAR1 (0.30) SIGMAR1MEN1KMT2A
SCHEMBL8678439 0.85 MEN1 (0.33) MEN1KMT2ALMNANFKB1HSD17B10
SCHEMBL8681404 0.79
SCHEMBL8462546 0.78 HPGD (0.37) LMNA
SCHEMBL8465654 0.77 MEN1 (0.33) MEN1KMT2AKDM4ELMNANFKB1
SCHEMBL8601079 0.77 MEN1 (0.36) MEN1KMT2ALMNANFKB1HSD17B10
Butadiene SCHEMBL8466562 0.74 MEN1 (0.33) MEN1KMT2AKDM4ELMNANFKB1
SCHEMBL8466565 0.74 MEN1 (0.31) MEN1KMT2AKDM4E

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-0767795-B1 GROUP 4 METAL DIENE COMPLEXES AND ADDITION POLYMERIZATION CATALYSTS THEREFROM DOW CHEMICAL CO (US) 1999-12-22 EP disclosed