SCHEMBL7679275

SCHEMBL7679275

O=C(c1ccc(Br)cc1)c1ccc(OC/C=C/CNCC2CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 10/20 0.60
PPARD Q03181 2/20 0.43
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
SRD5A2 P31213 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HPGD P15428 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
MAOB P27338 1/20 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
SCHEMBL7771941 1.00 LSS (0.60) LSSPPARDLMNAALDH1A1SMN1; SMN2
SCHEMBL7768109 0.90 LSS (0.56) LSSPPARDLMNAALDH1A1SMN1; SMN2
SCHEMBL7686218 0.85 LSS (0.62) LSSPPARDLMNAMEN1MAPT
SCHEMBL7686216 0.85 LSS (0.62) LSSPPARDLMNAMEN1MAPT
SCHEMBL7769424 0.85 LSS (0.56) LSSPPARDLMNAMEN1MAPT
SCHEMBL7688510 0.85 LSS (0.56) LSSPPARDLMNAMEN1MAPT
SCHEMBL8050168 0.81 LSS (0.56) LSSPPARDLMNAALDH1A1MEN1
SCHEMBL7688375 0.81 LSS (0.60) LSSPPARDLMNAMEN1MAPT
SCHEMBL7688373 0.81 LSS (0.60) LSSPPARDLMNAMEN1MAPT
SCHEMBL8035630 0.80 LSS (0.60) LSSPPARDLMNAALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6441177-B1 Tertiary amines HOFFMANN-LA ROCHE INC. 2002-08-27 US claimed
EP-0778264-B1 Tertiary amines having antimycotic and cholesterol lowering activity HOFFMANN LA ROCHE (CH) 2001-07-11 EP claimed
EP-0778264-A1 Tertiary amines having antimycotic and cholesterol lowering activity F. HOFFMANN-LA ROCHE AG (CH) 1997-06-11 EP claimed
US-6441177-B1 Tertiary amines HOFFMANN-LA ROCHE INC. 2002-08-27 US disclosed
EP-0778264-B1 Tertiary amines having antimycotic and cholesterol lowering activity HOFFMANN LA ROCHE (CH) 2001-07-11 EP disclosed
US-6034275-A FUGICIDES; ATICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 2000-03-07 US disclosed
EP-0778264-A1 Tertiary amines having antimycotic and cholesterol lowering activity F. HOFFMANN-LA ROCHE AG (CH) 1997-06-11 EP disclosed