SCHEMBL28113748

SCHEMBL28113748

CC1=C(C)C(C(C)C)c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
GPR3 P46089 1/20 0.34
HTR2A P28223 2/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
CDC25A P30304 2/20 0.32
CDC25B P30305 2/20 0.32
MAP2K7 O14733 1/20 0.32
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
PRCP P42785 1/20 0.32
S100A4 P26447 1/20 0.31

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
SCHEMBL3919889 0.80 GPR3 (0.46) MEN1POLBKMT2AATMGPR3
SCHEMBL4403411 0.72 CDC25B (0.52) MEN1POLBKMT2ACYP1A2TSHR
SCHEMBL1941203 0.71 GPR3 (0.38) MEN1POLBKMT2AGPR3HTR2A
SCHEMBL6673596 0.71 GPR3 (0.34) GPR3HTR2A
SCHEMBL6675583 0.70 GPR3 (0.46) MEN1POLBKMT2AATMGPR3
SCHEMBL27709737 0.70 GPR3 (0.37) MEN1POLBKMT2AGPR3HTR2A
SCHEMBL27602853 0.70 GPR3 (0.37) MEN1POLBKMT2AGPR3HTR2A
SCHEMBL14277097 0.70 MEN1 (0.40) MEN1POLBKMT2AATMGPR3
SCHEMBL28330081 0.70 GPR3 (0.37) MEN1POLBKMT2AGPR3HTR2A
SCHEMBL27272944 0.70 GPR3 (0.37) MEN1POLBKMT2AATMGPR3

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
CN-101018815-B Multiple catalyst and reactor system for olefin polymerization and polymers produced thereby EXXONMOBIL CHEMICAL PATENTS INC. (US) 2016-11-30 CN disclosed