SCHEMBL8478989

SCHEMBL8478989

O=Cc1cc(OCC=CCBr)ccc1C(=O)c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LSS P48449 12/20 0.46
PPARD Q03181 4/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SRD5A2 P31213 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PTGES O14684 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
SCHEMBL8478986 1.00 LSS (0.46) LSSPPARDMEN1KMT2ASRD5A2
SCHEMBL7686037 0.85 LSS (0.53) LSSMEN1KMT2ALMNAMAPT
SCHEMBL7686041 0.85 LSS (0.53) LSSMEN1KMT2ALMNAMAPT
SCHEMBL8903282 0.84 LSS (0.53) LSSPPARDMEN1KMT2ASRD5A2
SCHEMBL8045167 0.84 LSS (0.53) LSSPPARDMEN1KMT2ASRD5A2
SCHEMBL8761374 0.82 LSS (0.74) LSSMEN1KMT2A
SCHEMBL8478859 0.82 LSS (0.52) LSSMEN1KMT2A
SCHEMBL7685512 0.82 LSS (0.62) LSSPPARDMEN1KMT2ASRD5A2
SCHEMBL7685521 0.82 LSS (0.62) LSSPPARDMEN1KMT2ASRD5A2
SCHEMBL7687942 0.81 LSS (0.56) LSSMEN1KMT2ALMNAMAPT

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