SCHEMBL11032166

SCHEMBL11032166

COc1ccc(OCCCCCc2cc(C)no2)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 14/20 0.54
RAB9A P51151 13/20 0.54
S1PR4 O95977 1/20 0.47
MAPT P10636 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
POLB P06746 1/20 0.41

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
SCHEMBL10429427 1.00 NPC1 (0.54) NPC1RAB9AS1PR4MAPTTDP1
SCHEMBL11034498 1.00 NPC1 (0.54) NPC1RAB9AS1PR4MAPTTDP1
SCHEMBL11033127 1.00 NPC1 (0.54) NPC1RAB9AS1PR4MAPTTDP1
SCHEMBL11035928 0.86 L3MBTL1 (0.48) NPC1RAB9AS1PR4MAPTTDP1
SCHEMBL11031814 0.86 LMNA (0.47) NPC1RAB9AS1PR4MAPTTDP1
SCHEMBL11032169 0.85 RAB9A (0.45) NPC1RAB9AMAPTTDP1L3MBTL1
SCHEMBL11034060 0.84 NPC1 (0.44) NPC1RAB9AMAPTTDP1L3MBTL1
SCHEMBL11031543 0.82 MAPT (0.47) NPC1RAB9AS1PR4MAPTTDP1
SCHEMBL9876491 0.81 ICMT (0.44) NPC1RAB9AS1PR4MAPTTDP1
SCHEMBL11031527 0.81 ALDH1A1 (0.48) NPC1RAB9AS1PR4MAPTLMNA

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-4451476-A Isoxazoles as antiviral agents STERLING DRUG INC. (US) 1984-05-29 US claimed
EP-0111345-A2 Isoxazoles, useful as antiviral agents, and preparation thereof STERLING DRUG INC. (US) 1984-06-20 EP disclosed
US-4451476-A Isoxazoles as antiviral agents STERLING DRUG INC. (US) 1984-05-29 US disclosed