SCHEMBL3247916

SCHEMBL3247916

c1ccc(Oc2ccc(-c3ccc(OCCCc4ccccn4)nc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK14 Q16539 1/20 0.41
HRH1 P35367 2/20 0.39
ELOVL1 Q9BW60 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
RIPK1 Q13546 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SCN4A P35499 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
NAAA Q02083 1/20 0.37
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
MEN1 O00255 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
SCHEMBL3244498 0.87 RAB9A (0.49) CYP3A4CYP2D6CYP2C9NPC1RAB9A
SCHEMBL10452372 0.82 CYP3A4 (0.59) LTA4HCYP3A4CYP2D6CYP2C9MAPK14
SCHEMBL3241858 0.79 ELOVL1 (0.49) CYP3A4CYP2D6CYP2C9HRH1ELOVL1
SCHEMBL3249134 0.77 HRH1 (0.42) CYP3A4CYP2D6CYP2C9HRH1ELOVL1
SCHEMBL147199 0.75 CYP3A4 (0.61) CYP3A4CYP2D6CYP2C9HRH1SMN1; SMN2
SCHEMBL6792817 0.75 HRH1 (0.50) CYP3A4CYP2D6CYP2C9HRH1SMN1; SMN2
SCHEMBL3241892 0.75 SMN1; SMN2 (0.40) CYP3A4CYP2D6CYP2C9HRH1ELOVL1
SCHEMBL11272616 0.71 KCNA3 (0.59) CYP3A4CYP2D6CYP2C9HRH1SMN1; SMN2
SCHEMBL6787331 0.70 POLB (0.57) HRH1NPC1RAB9AMEN1GAA
SCHEMBL7543481 0.70 LTA4H (0.55) LTA4HRAB9AHRH3

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
WO-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO claimed
WO-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO disclosed
WO-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO disclosed