SCHEMBL3970108

SCHEMBL3970108

CC(C)c1ccccc1C(C)C.CCc1cccc(C)c1CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.38
NLRP3 Q96P20 1/20 0.38
GABRB2 P47870 4/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
FAAH O00519 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
GABRB1 P18505 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36

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
SCHEMBL169506 0.84 GABRA1 (0.48) GABRA1NLRP3GABRB2CYP1A2CYP3A4
SCHEMBL3258673 0.84 GABRA1 (0.48) GABRA1NLRP3GABRB2CYP1A2CYP3A4
SCHEMBL9579249 0.83 GABRA1 (0.54) GABRA1GABRG2GABRB3HTTGABRB2
SCHEMBL9488152 0.83 SHBG (0.44) GABRA1KMT2AGABRB2CYP1A2CYP3A4
SCHEMBL9734713 0.83 GABRA1 (0.54) GABRA1GABRG2GABRB3MAPK1NLRP3
Ammonia Solution, Strong SCHEMBL7055042 0.82 GABRA1 (0.46) GABRA1NLRP3GABRB2CYP1A2CYP3A4
Ammonia Solution, Strong SCHEMBL150658 0.82 GABRA1 (0.46) GABRA1NLRP3GABRB2CYP1A2CYP3A4
Methylamine SCHEMBL27931104 0.82 GABRA1 (0.46) GABRA1NLRP3GABRB2CYP1A2CYP3A4
SCHEMBL11654644 0.80 GABRA1 (0.46) GABRA1GABRG2GABRB3HTTNLRP3
SCHEMBL23845156 0.77 GABRA1 (0.45) GABRA1GABRG2GABRB3MEN1KMT2A

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-7527778-B2 Zinc-containing zeolite with IFR framework topology CHEVRON U.S.A. INC. (US) 2009-05-05 US disclosed
US-20070292343-A1 ZINC-CONTAINING ZEOLITE WITH IFR FRAMEWORK TOPOLOGY CHEVRON U.S.A. INC. 2007-12-20 US disclosed