SCHEMBL4082716

SCHEMBL4082716

CC1=Cc2c(C(C)C)cccc2C1[Hf](Cl)Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
FAAH O00519 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
GABRB1 P18505 1/20 0.33
PTGS1 P23219 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
HTR2B P41595 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33

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
SCHEMBL28859496 0.85 GABRA1 (0.34) LMNAGABRA1GABRG2GABRB3FAAH
SCHEMBL30785867 0.84 GABRA1 (0.33) LMNAGABRA1GABRG2GABRB3FAAH
SCHEMBL30785863 0.81 FAAH (0.32) LMNAGABRA1GABRG2GABRB3FAAH
SCHEMBL17415224 0.81 FAAH (0.32) LMNAGABRA1GABRG2GABRB3FAAH
Hydrochloric Acid SCHEMBL17386975 0.80 FAAH (0.31) LMNAGABRA1GABRG2GABRB3FAAH
SCHEMBL8152644 0.80 SLC6A2 (0.31) SLC6A2
SCHEMBL5616539 0.77
SCHEMBL20590692 0.76
SCHEMBL20590603 0.75 SOAT1 (0.31)
SCHEMBL6261653 0.75 GABRA1 (0.36) LMNAGABRA1GABRG2GABRB3FAAH

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
CN-103443171-B Polyethylene film 伊奎斯塔化学有限公司 2016-08-17 CN disclosed
WO-2009104782-A1 ETHYLENE HOMOPOLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-08-27 WO disclosed
WO-2009104785-A1 CATALYST COMPONENT FOR POLYMERIZATION OF ETHYLENE AND PROCESS FOR PRODUCING ETHYLENE POLYMER (1) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-08-27 WO disclosed
WO-2009104783-A1 CATALYST COMPONENT FOR POLYMERIZATION OF ETHYLENE AND PROCESS FOR PRODUCING ETHYLENE POLYMER (2) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-08-27 WO disclosed