SCHEMBL8484269

SCHEMBL8484269

BrCCCCCCOc1ccc2c(c1)CCN=C2c1ccc(Br)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LSS P48449 7/20 0.70
CA1 P00915 4/20 0.54
CA2 P00918 4/20 0.54
CA7 P43166 4/20 0.54
CA9 Q16790 4/20 0.54
CA14 Q9ULX7 4/20 0.54
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
SLC2A1 P11166 1/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
MAOB P27338 3/20 0.38
MAOA P21397 1/20 0.38
MAPK10 P53779 3/20 0.37
MAPK14 Q16539 1/20 0.37

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
SCHEMBL8760809 0.82 LSS (1.00) LSS
SCHEMBL6716346 0.79 CA1 (0.69) LSSCA1CA2CA7CA9
Hydrochloric Acid SCHEMBL6718966 0.78 CA1 (0.67) LSSCA1CA2CA7CA9
SCHEMBL8483502 0.75 LSS (0.61) LSSCA1CA2CA7CA9
SCHEMBL8759892 0.74 LSS (0.61) LSSMAOBMAOA
SCHEMBL8482365 0.73 LSS (0.73) LSSCA1CA2CA7CA9
SCHEMBL8483497 0.73 LSS (0.52) LSSCA1CA2CA7CA9
SCHEMBL8482367 0.73 LSS (0.73) LSSCA1CA2CA7CA9
SCHEMBL8485500 0.72 LSS (0.61) LSSMAOBMAOA
SCHEMBL8483929 0.72 LSS (0.58) LSSCA1CA2CA7CA9

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-5856503-A ANTICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 1999-01-05 US disclosed
EP-0778271-A2 Aminoalkyl-substituted benzo-heterocyclic compounds F. HOFFMANN-LA ROCHE AG (CH) 1997-06-11 EP disclosed