SCHEMBL8718649

SCHEMBL8718649

CC(C)c1cccc2c1C(C1=CC=CC1)c1ccccc1-2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
DPP4 P27487 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
USP1 O94782 1/20 0.30
FAAH O00519 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
GABRA1 P14867 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 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
SCHEMBL8142260 0.87 MEN1 (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL9581855 0.84 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL8710753 0.84 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3
SCHEMBL7913217 0.84 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL944864 0.83 SLC6A2 (0.30) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL8155092 0.83 SLC6A2 (0.30) SLC6A2SLC6A4SLC6A3
Methane SCHEMBL5839467 0.83 SLC6A2 (0.30) SLC6A2SLC6A4SLC6A3
SCHEMBL9278341 0.82 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3
SCHEMBL9278267 0.81 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL3687437 0.81 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5759469-A WITH EXCELLENT TRANSPARENCY THROUGH HEATING, MELTING AND HOT MOLDING MITSUI TOATSU CHEMICALS, INC. (JP) 1998-06-02 US disclosed