SCHEMBL3842019

SCHEMBL3842019

CC1=CC(C)C(c2ccc3ccccc3c2OC(C)C)=C1C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
MYB P10242 1/20 0.32
DNMT1 P26358 1/20 0.32
TSHR P16473 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL3843181 0.79 SLC2A1 (0.31)
Hydrochloric Acid SCHEMBL3840923 0.78
SCHEMBL3199294 0.77 DNMT1 (0.33) CYP1A2DNMT1TSHR
Hydrochloric Acid SCHEMBL3208436 0.76 DNMT1 (0.33) MAPTDNMT1
Hydrochloric Acid SCHEMBL3208443 0.76 DNMT1 (0.30) DNMT1
SCHEMBL3846020 0.75 KCNN4 (0.35) MAPT
SCHEMBL3211136 0.74 ALDH1A1 (0.38) MAPTCYP1A2CYP2C19MYBDNMT1
SCHEMBL3845810 0.74 MAPT (0.33) MAPT
SCHEMBL3201831 0.73 KDM4E (0.36) MAPTCYP1A2CYP2C9CYP2C19DNMT1
SCHEMBL3845808 0.73 KDM4E (0.31) MAPT

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