SCHEMBL6864306

SCHEMBL6864306

CC(C)c1cccc(C([NH])=O)c1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
LMNA P02545 2/20 0.43
GABRB2 P47870 2/20 0.43
FAAH O00519 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
GABRB1 P18505 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2C P28335 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
HTR2B P41595 1/20 0.43
GABRA2 P47869 1/20 0.43

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
SCHEMBL29214418 0.84 GABRA1 (0.46) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL4056882 0.84 GABRA1 (0.48) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL557360 0.82 GABRA1 (0.45) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL16466774 0.82 LMNA (0.45) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL30797325 0.81 IRAK4 (0.44) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL5485697 0.81 GABRA1 (0.43) GABRA1GABRG2GABRB3LMNAGABRB2
Hydrochloric Acid SCHEMBL9117656 0.81 LMNA (0.43) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL458410 0.81 IRAK4 (0.44) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL6831301 0.81 GABRA1 (0.43) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL26627282 0.80 GABRA1 (0.46) GABRA1GABRG2GABRB3LMNAGABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6797791-B2 POLYMERIZING OLEFIN(S) IN THE PRESENCE OF A CATALYST SYSTEM COMPRISING A POLYMERIZATION CATALYST AND AN ALTERNATING GROUP 14 AND GROUP 16 ATOM CONTAINING OIL OR AMORPHOUS SOLID UNIVATION TECHNOLOGIES, LLC 2004-09-28 US disclosed
US-20030149197-A1 Catalyst systems, method for preparing and using same in a polymerization process GINDELBERGER DAVID E (US) 2003-08-07 US disclosed