SCHEMBL7790341

SCHEMBL7790341

CC(C)C1Cc2ccccc2C1(C(C)C)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.38
MEN1 O00255 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
BCHE P06276 1/20 0.38
CHRM5 P08912 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
PRCP P42785 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38

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
SCHEMBL22393783 0.81 KDM1A (0.42) CYP3A4MEN1CYP2D6ALOX15CYP2C19
SCHEMBL8164703 0.78 CYP3A4 (0.33) CYP3A4MEN1CYP2D6ALOX15CYP2C19
SCHEMBL26852809 0.69 SIGMAR1 (0.41) CHRM5MAPK1SIGMAR1
SCHEMBL21887277 0.68 KDM1A (0.38) CYP3A4MEN1CYP2D6ALOX15CYP2C19
SCHEMBL24210472 0.68 PNMT (0.33) PRCP
SCHEMBL20306478 0.68 LMNA (0.34) CYP3A4MEN1CYP2D6ALOX15CYP2C19
SCHEMBL26304736 0.66 MAPK1 (0.38) CHRM5MAPK1
SCHEMBL24210480 0.66 KDM1A (0.39) CHRM5MAPK1
SCHEMBL14279752 0.66 CYP3A4 (0.45) CYP3A4MEN1CYP2D6ALOX15CYP2C19
SCHEMBL20113122 0.66 CYP3A4 (0.41) CYP3A4MEN1CYP2D6ALOX15CYP2C19

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-20010029286-A1 Procatalysts, catalyst systems, and use in OLEFIN polymerization EASTMAN CHEMICAL COMPANY, A CORP. OF DELAWARE 2001-10-11 US disclosed
US-20010025005-A1 Procatalysts, catalyst systems, and use in olefin polymerization EASTMAN CHEMICAL COMPANY, A CORPORATION OF DELAWARE 2001-09-27 US disclosed
WO-2001051527-A1 PROCATALYSTS, CATALYST SYSTEMS, AND USE IN OLEFIN POLYMERIZATION EASTMAN CHEMICAL COMPANY (US) 2001-07-19 WO disclosed
WO-2001051529-A1 PROCATALYSTS COMPRISING BIDENTATE LIGANDS, CATALYST SYSTEMS, AND USE IN OLEFIN POLYMERIZATION EASTMAN CHEMICAL COMPANY (US) 2001-07-19 WO disclosed