SCHEMBL5014685

SCHEMBL5014685

Cc1cc(CC(C)C)c(C(C)C)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
GABRA1 P14867 3/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRB2 P47870 2/20 0.32
STING1 Q86WV6 1/20 0.31
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
GFER P55789 1/20 0.30

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
SCHEMBL2683313 0.82 CYP1A2 (0.37) LMNAGABRA1GABRB2
SCHEMBL5015100 0.81 POLB (0.49) GABRA1ALOX15GABRB2POLBGAA
SCHEMBL5022865 0.77 MAPK1 (0.34) GABRA1ALOX15ALOX12GABRB2POLB
SCHEMBL5022863 0.76 CYP1A2 (0.33) GABRA1GABRB2
SCHEMBL5015066 0.76 ALDH1A1 (0.34) GABRA1GABRB2
SCHEMBL14924905 0.74 LMNA (0.41) LMNAGABRA1GABRB1GABRB2POLB
SCHEMBL11422616 0.74 LMNA (0.41) LMNAGABRA1GABRB1GABRB2POLB
SCHEMBL5015048 0.73 SLC6A4 (0.36)
SCHEMBL18757899 0.70 HTR2A (0.51)
SCHEMBL15031067 0.70 GABRA1 (0.39) LMNAGABRA1GABRB1GABRB2POLB

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
WO-2008137102-A2 METHODS OF MODULATING AMYLOID BETA AND COMPOUNDS USEFUL THEREFOR TORREYPINES THERAPEUTICS, INC. (US) 2008-11-13 WO disclosed
WO-2008137102-A2 METHODS OF MODULATING AMYLOID BETA AND COMPOUNDS USEFUL THEREFOR TORREYPINES THERAPEUTICS, INC. (US) 2008-11-13 WO disclosed