SCHEMBL7769052

SCHEMBL7769052

C=CCCNCC=CCOc1ccc(C(O)(C=C)c2ccc(Br)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LSS P48449 6/20 0.39
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.34
GAA P10253 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 1/20 0.32
PPARD Q03181 1/20 0.31
POLB P06746 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL7764149 0.89 LSS (0.42) LSSALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL7772349 0.89 LSS (0.42) LSSALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL7768018 0.89 LSS (0.42) LSSALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL7772016 0.87 LSS (0.38) LSSALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL7764242 0.85 CYP19A1 (0.39) LSSALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL7769431 0.84 MAPK1 (0.37) LSSALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL8035630 0.81 LSS (0.60) LSSALDH1A1SMN1; SMN2HTTNPC1
SCHEMBL8035360 0.78 LSS (0.47) LSSALDH1A1SMN1; SMN2HTTNPC1
SCHEMBL7767865 0.77 LSS (0.44) LSSSMN1; SMN2HTTNPC1RAB9A
SCHEMBL7681654 0.76 LSS (0.68) LSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0778264-B1 Tertiary amines having antimycotic and cholesterol lowering activity HOFFMANN LA ROCHE (CH) 2001-07-11 EP claimed