SCHEMBL4061999

SCHEMBL4061999

CC1=C(C)C([Ti](Cl)Cl)c2c(C)cccc21

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.34
GAA P10253 2/20 0.34
SI P14410 2/20 0.34
MGAM2 Q2M2H8 2/20 0.34
ALDH1A1 P00352 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
PBRM1 Q86U86 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
SCHEMBL4062877 0.73 GPR3 (0.33) PBRM1
SCHEMBL6908395 0.70 PBRM1 (0.35) HTR2AHTR2CHTR2BPBRM1
Hydrochloric Acid SCHEMBL4061997 0.69 ALDH1A1 (0.34) ALDH1A1
SCHEMBL924861 0.66
SCHEMBL21248253 0.65
Hydrochloric Acid SCHEMBL924860 0.63
SCHEMBL10715263 0.61 CYP2A6 (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL11804054 0.60 PBRM1 (0.41) GAAALDH1A1HTR2AHTR2CHTR2B
SCHEMBL17033056 0.59 MGAM (0.47) MGAMGAASIMGAM2ALDH1A1
SCHEMBL28110786 0.59 PLA2G7 (0.52) MGAMGAASIMGAM2ALDH1A1

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
WO-2009116656-A1 PREPOLYMERIZATION CATALYST COMPONENT AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-09-24 WO disclosed