SCHEMBL8558710

SCHEMBL8558710

Cc1cccc(C(C)OC(Br)c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.42
AOC3 Q16853 1/20 0.40
EPHX1 P07099 1/20 0.38
ACHE P22303 2/20 0.37
TAAR1 Q96RJ0 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPT P10636 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CASR P41180 1/20 0.34
GPR139 Q6DWJ6 1/20 0.33

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
SCHEMBL8750392 0.83 ACHE (0.48) ACP3AOC3EPHX1ACHEALDH1A1
SCHEMBL28495047 0.83 HCAR2 (0.39) TAAR1ALDH1A1OPRK1SLC6A3
SCHEMBL9065878 0.75 ACHE (0.48) ACP3AOC3EPHX1ACHEALDH1A1
SCHEMBL7518652 0.74 ACP3 (0.50) ACP3AOC3EPHX1ACHETAAR1
SCHEMBL19122369 0.74 AOC3 (0.54) ACP3AOC3EPHX1ACHEALDH1A1
SCHEMBL9070317 0.74 AOC3 (0.54) ACP3AOC3EPHX1ACHEALDH1A1
SCHEMBL19817007 0.73 TP53 (0.38) ACP3AOC3EPHX1ACHEALDH1A1
SCHEMBL1812638 0.73 ACHE (0.50) ACP3AOC3EPHX1ACHEALDH1A1
SCHEMBL30647112 0.73 ACHE (0.50) ACP3AOC3EPHX1ACHEALDH1A1
SCHEMBL30647223 0.73 ACHE (0.50) ACP3AOC3EPHX1ACHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5846986-A Therapeutic phenoxyalkylazoles and phenoxyalkylazines SANOFI (FR) 1998-12-08 US disclosed
US-5721261-A TREATING PICORNAVIRUS INFECTIONS SANOFI PHARMACEUTICALS, INC. (US) 1998-02-24 US disclosed
US-5552420-A TREATING PICORNAVIRAL INFECTIONS STERLING WINTHROP INC. (US) 1996-09-03 US disclosed