SCHEMBL8750879

SCHEMBL8750879

CC(C)c1cccc(C(C)C)c1N[W](Cl)(Cl)(Cl)Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
GABRA1 P14867 3/20 0.44
LMNA P02545 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRB2 P47870 2/20 0.44
FAAH O00519 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
GABRB1 P18505 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR2C P28335 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
HTR2B P41595 1/20 0.44

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
SCHEMBL17636899 0.76 SMN1; SMN2 (0.50) SMN1; SMN2GABRA1LMNAGABRG2GABRB3
SCHEMBL812723 0.75 GABRA1 (0.52) SMN1; SMN2GABRA1LMNAGABRG2GABRB3
SCHEMBL6180997 0.73 GABRA1 (0.50) SMN1; SMN2GABRA1LMNAGABRG2GABRB3
SCHEMBL3206761 0.71 GABRA1 (0.48) SMN1; SMN2GABRA1LMNAGABRG2GABRB3
SCHEMBL8159500 0.71 SMN1; SMN2 (0.50) SMN1; SMN2GABRA1LMNAGABRG2GABRB3
SCHEMBL28914676 0.71 GABRA1 (0.48) SMN1; SMN2GABRA1LMNAGABRG2GABRB3
SCHEMBL3116485 0.71 GABRA1 (0.48) SMN1; SMN2GABRA1LMNAGABRG2GABRB3
SCHEMBL10037121 0.71 GABRA1 (0.48) SMN1; SMN2GABRA1LMNAGABRG2GABRB3
SCHEMBL22767461 0.71 GABRA1 (0.54) SMN1; SMN2GABRA1LMNAGABRG2GABRB3
SCHEMBL8750954 0.71 LMNA (0.48) SMN1; SMN2GABRA1LMNAGABRG2GABRB3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0710257-B1 IMIDO TRANSITION METAL COMPLEX METATHESIS CATALYSTS SHELL OIL CO (US) 1997-04-02 EP claimed
EP-0710257-A1 IMIDO TRANSITION METAL COMPLEX METATHESIS CATALYSTS SHELL OIL CO (US) 1996-05-08 EP claimed
US-5405924-A Imido transition metal complex metathesis catalysts SHELL OIL COMPANY (US) 1995-04-11 US claimed
WO-1995003346-A1 IMIDO TRANSITION METAL COMPLEX METATHESIS CATALYSTS SHELL OIL COMPANY (US) 1995-02-02 WO claimed
EP-0710257-B1 IMIDO TRANSITION METAL COMPLEX METATHESIS CATALYSTS SHELL OIL CO (US) 1997-04-02 EP disclosed
EP-0710257-A1 IMIDO TRANSITION METAL COMPLEX METATHESIS CATALYSTS SHELL OIL CO (US) 1996-05-08 EP disclosed
US-5405924-A Imido transition metal complex metathesis catalysts SHELL OIL COMPANY (US) 1995-04-11 US disclosed
WO-1995003346-A1 IMIDO TRANSITION METAL COMPLEX METATHESIS CATALYSTS SHELL OIL COMPANY (US) 1995-02-02 WO disclosed