SCHEMBL2044282

SCHEMBL2044282

CC(C)c1ccccc1C(Br)(Br)Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.46
GABRB2 P47870 2/20 0.46
CYP3A4 P08684 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
FAAH O00519 2/20 0.42
LMNA P02545 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
GABRB1 P18505 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2C P28335 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
HTR2B P41595 1/20 0.42
GABRA2 P47869 1/20 0.42

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
SCHEMBL27669507 0.83 P2RX7 (0.50) GABRA1GABRB2CYP3A4GABRG2GABRB3
SCHEMBL4667743 0.80 GABRA1 (0.46) GABRA1GABRB2CYP3A4GABRG2GABRB3
SCHEMBL29414888 0.80 GABRA1 (0.46) GABRA1GABRB2CYP3A4GABRG2GABRB3
SCHEMBL6576803 0.80 GABRA1 (0.46) GABRA1GABRB2CYP3A4GABRG2GABRB3
SCHEMBL84477 0.78 P2RX7 (0.50) GABRA1GABRB2CYP3A4GABRG2GABRB3
SCHEMBL9689320 0.78 GABRA1 (0.41) GABRA1GABRB2CYP3A4GABRG2GABRB3
SCHEMBL11758159 0.77 P2RX7 (0.35) CYP1A2ALDH1A1CYP2C19P2RX7
SCHEMBL25486867 0.76 CYP3A4 (0.43) GABRA1GABRB2CYP3A4GABRG2GABRB3
SCHEMBL16579953 0.76 CYP3A4 (0.51) GABRA1GABRB2CYP3A4GABRG2GABRB3
SCHEMBL481607 0.76 MAPK1 (0.44) GABRA1GABRB2CYP3A4GABRG2GABRB3

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-7960488-B2 Aluminoxane compositions, their preparation, and their use in catalysis ALBEMARLE CORPORATION (US) 2011-06-14 US disclosed
US-20090088541-A1 ALUMINOXANE COMPOSITIONS, THEIR PREPARATION, AND THEIR USE IN CATALYSIS ALBEMARLE CORPORATION (US) 2009-04-02 US disclosed