SCHEMBL6339808

SCHEMBL6339808

C(C=CCc1ccccc1)=CCc1ccccc1.C[Ti]C.[SiH4]

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.61
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ARG2 P78540 1/20 0.47
TOP1 P11387 1/20 0.39
TP53 P04637 1/20 0.39
KCNH2 Q12809 2/20 0.38
CALM1 P0DP23 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
IDO1 P14902 2/20 0.34
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33

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
SCHEMBL628859 0.88 MAOB (0.78) MAOBCA1CA2ARG2TOP1
SCHEMBL462351 0.88 MAOB (0.78) MAOBCA1CA2ARG2TOP1
SCHEMBL27558493 0.85 MAOB (0.74) MAOBCA1CA2ARG2TOP1
SCHEMBL30075910 0.85 MAOB (0.74) MAOBCA1CA2ARG2TOP1
SCHEMBL27559747 0.82 MAOB (0.61) MAOBCA1CA2ARG2TOP1
SCHEMBL15466749 0.82 MAOB (0.61) MAOBCA1CA2ARG2TOP1
SCHEMBL11599873 0.82 MAOB (0.61) MAOBCA1CA2ARG2TOP1
SCHEMBL15466750 0.82 MAOB (0.61) MAOBCA1CA2ARG2TOP1
SCHEMBL11599869 0.82 MAOB (0.61) MAOBCA1CA2ARG2TOP1
Tert-Butanol SCHEMBL8960018 0.80 MAOB (0.58) MAOBCA1CA2ARG2TOP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6943224-B2 Process for preparing supported transition metal catalyst systems and catalyst systems prepared thereby W. R. GRACE & CO.-CONN. (US) 2005-09-13 US disclosed
EP-1399491-A1 SUPPORTED DUAL TRANSITION METAL CATALYST SYSTEMS W.R. Grace & Co.-Conn. (US) 2004-03-24 EP disclosed
US-20030224927-A1 Process for preparing supported transition metal catalyst systems and catalyst systems prepared thereby W. R. GRACE & CO.-CONN. 2003-12-04 US disclosed
WO-2002088200-A1 SUPPORTED DUAL TRANSITION METAL CATALYST SYSTEMS W.R. GRACE & CO.-CONN. (US) 2002-11-07 WO disclosed