SCHEMBL11049533

SCHEMBL11049533

CC(C)c1ccc(Br)c(Br)c1C(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.33
GABRB1 P18505 2/20 0.33
LMNA P02545 2/20 0.31
SLC6A2 P23975 2/20 0.31
HTR2B P41595 2/20 0.31
TRPA1 O75762 1/20 0.31
CHRM1 P11229 1/20 0.31
ADRA1A P35348 1/20 0.31
GABRB2 P47870 2/20 0.31
FAAH O00519 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
GABRG2 P18507 1/20 0.31
PTGS1 P23219 1/20 0.31
HTR2C P28335 1/20 0.31
GABRB3 P28472 1/20 0.31

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
SCHEMBL18882795 0.83 GABRA1 (0.34) GABRA1GABRB1LMNASLC6A2HTR2B
SCHEMBL16860598 0.82
SCHEMBL10456470 0.80 GABRA1 (0.36) GABRA1GABRB1LMNASLC6A2HTR2B
SCHEMBL31017690 0.80 GABRA1 (0.36) GABRA1GABRB1LMNASLC6A2HTR2B
SCHEMBL29175423 0.77 GABRA1 (0.45) GABRA1GABRB1LMNASLC6A2HTR2B
SCHEMBL29175425 0.77 LMNA (0.42) GABRA1GABRB1LMNASLC6A2HTR2B
SCHEMBL1292825 0.76 GABRA1 (0.41) GABRA1GABRB1LMNASLC6A2HTR2B
SCHEMBL2879606 0.74
SCHEMBL9800602 0.74 ALOX15 (0.35) GABRA1GABRB1LMNASLC6A2HTR2B
SCHEMBL10026553 0.73 GABRA1 (0.48) GABRA1GABRB1LMNASLC6A2HTR2B

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-4429069-A TRIBROMOCUMENE SAYTECH, INC. (US) 1984-01-31 US disclosed
US-4425447-A SELF-EXTINGUISHING, POLYURETHANES, FOAMS SAYTECH, INC. (US) 1984-01-10 US disclosed