SCHEMBL7325232

SCHEMBL7325232

CC(C)C(Br)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
MAPT P10636 1/20 0.44
IDO1 P14902 1/20 0.41
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
AGXT P21549 1/20 0.40
RCE1 Q9Y256 1/20 0.40
AOC3 Q16853 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TRPA1 O75762 1/20 0.39
SLC6A2 P23975 3/20 0.39
TAAR1 Q96RJ0 2/20 0.39
SLC6A4 P31645 2/20 0.39

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
SCHEMBL8330569 0.84 RCE1 (0.44) TSHRMAPTIDO1SLC1A3SLC1A2
SCHEMBL360511 0.83 TSHR (0.48) TSHRMAPTIDO1SLC1A3SLC1A2
SCHEMBL7332513 0.82 CYP2D6 (0.50) TSHRMAPTCYP2D6TRPA1SLC6A2
SCHEMBL27700953 0.82 MAPT (0.54) TSHRMAPTIDO1SLC1A3SLC1A2
SCHEMBL1942288 0.79 TSHR (0.44) TSHRMAPTIDO1SLC1A3SLC1A2
SCHEMBL4970198 0.79 RCE1 (0.46) TSHRMAPTIDO1SLC1A3SLC1A2
SCHEMBL23998026 0.78 TSHR (0.48) TSHRMAPTIDO1SLC1A3SLC1A2
SCHEMBL14001693 0.78 MAPT (0.58) TSHRMAPTIDO1SLC1A3SLC1A2
SCHEMBL20463639 0.78 RCE1 (0.49) TSHRMAPTIDO1SLC1A3SLC1A2
SCHEMBL5018878 0.78 RCE1 (0.49) TSHRMAPTIDO1SLC1A3SLC1A2

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
EP-0352000-A2 Retroviral protease binding peptides SMITHKLINE BEECHAM CORPORATION (US) 1990-01-24 EP disclosed
US-4140702-A Process for producing vitamin E intermediate compounds HOFFMANN-LA ROCHE INC. (US) 1979-02-20 US disclosed