SCHEMBL4622632

SCHEMBL4622632

CC1=Cc2c(cc(C(C)C)cc2C(C)C)[C]1CC[C]1C(C)=Cc2c1cc(C(C)C)cc2C(C)C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
FABP3 P05413 2/20 0.34
FABP4 P15090 2/20 0.34
FABP5 Q01469 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL4622592 0.80 GABRA1 (0.33) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL8823370 0.78
SCHEMBL7598196 0.74 GABRA1 (0.37) GABRA1GABRB2LMNA
SCHEMBL3079552 0.63 GABRA1 (0.52) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL31415928 0.62 GABRA1 (0.42) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL4837877 0.62 GABRA1 (0.38) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL15064751 0.61 GABRA1 (0.68) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL3964697 0.61 GABRA1 (0.37) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL7949964 0.61 GABRA1 (0.37) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL28407137 0.61 GABRA1 (0.37) GABRA1GABRB2FABP3FABP4FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1053263-B1 CATALYST SYSTEM BASELL POLYOLEFINE GMBH (DE) 2003-10-01 EP claimed
EP-0545303-B1 Process for preparing high molecular weight polyolefins HOECHST AG (DE) 1997-10-01 EP claimed
EP-1219657-B1 POLYARYLENE AND METHOD FOR PRODUCTION THEREOF JAPAN SCIENCE & TECH AGENCY (JP) 2008-03-19 EP disclosed
EP-1219657-A1 POLYARYLENE AND METHOD FOR PRODUCTION THEREOF Japan Science and Technology Corporation (JP) 2002-07-03 EP disclosed
US-20020052446-A1 Composition based on monofluorometal complexes BAYER AKTIENGESELLSCHAFT (DE) 2002-05-02 US disclosed
US-5965678-A Catalyst system based on monoazadiene metal complexes BAYER AG (DE) 1999-10-12 US disclosed