SCHEMBL3845808

SCHEMBL3845808

CC1=CC(C)C(c2ccc3ccccc3c2CO[Ti])=C1C

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
EPHX1 P07099 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL3193464 0.86 KDM4E (0.32) KDM4EALDH1A1GAAMAPTTAAR1
Hydrochloric Acid SCHEMBL3213795 0.83 MAPT (0.32) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3201831 0.83 KDM4E (0.36) KDM4EALDH1A1GAAMAPTTAAR1
SCHEMBL3208811 0.78 KMT2A (0.34) KDM4EALDH1A1GAAMAPTTAAR1
SCHEMBL3206923 0.78 ALDH1A1 (0.40) KDM4EALDH1A1GAAMAPTTAAR1
Hydrochloric Acid SCHEMBL3263604 0.77 KDM4E (0.32) KDM4EMAPTKMT2A
Hydrochloric Acid SCHEMBL3207592 0.75
Hydrochloric Acid SCHEMBL3208443 0.75 DNMT1 (0.30)
Hydrochloric Acid SCHEMBL3258033 0.75 KDM4E (0.32) KDM4EMAPT
SCHEMBL3212169 0.75 SLC2A1 (0.36) MEN1KMT2A

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-1426379-B1 TRANSITION METAL COMPLEX,CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME SUMITOMO CHEMICAL CO (JP) 2009-11-11 EP disclosed