SCHEMBL8903282

SCHEMBL8903282

O=C(c1ccc(Br)cc1)c1ccc(OCC=CCBr)cc1F

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LSS P48449 13/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
SRD5A2 P31213 1/20 0.41
PARP15 Q460N3 1/20 0.40
PARP10 Q53GL7 1/20 0.40
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 0.38
PPARD Q03181 1/20 0.38

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
SCHEMBL8045167 1.00 LSS (0.53) LSSMEN1KMT2ASRD5A2PARP15
SCHEMBL7686037 0.86 LSS (0.53) LSSMEN1KMT2ALMNAMAPT
SCHEMBL7686041 0.86 LSS (0.53) LSSMEN1KMT2ALMNAMAPT
SCHEMBL8478986 0.84 LSS (0.46) LSSMEN1KMT2ASRD5A2LMNA
SCHEMBL8478989 0.84 LSS (0.46) LSSMEN1KMT2ASRD5A2LMNA
SCHEMBL7688254 0.83 LSS (0.39) LSSMEN1KMT2AMAPTMAPK1
SCHEMBL7688257 0.83 LSS (0.39) LSSMEN1KMT2AMAPTMAPK1
SCHEMBL7685512 0.83 LSS (0.62) LSSMEN1KMT2ASRD5A2LMNA
SCHEMBL7685521 0.83 LSS (0.62) LSSMEN1KMT2ASRD5A2LMNA
SCHEMBL7687942 0.82 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5637771-A Compound useful for lowering cholesterol HOFFMANN-LA ROCHE INC. (US) 1997-06-10 US disclosed
US-5574071-A ADMINISTERING PHENYLALKYLAMINO KETONES HOFFMANN-LA ROCHE INC. (US) 1996-11-12 US disclosed
US-5495048-A ANTICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 US disclosed