SCHEMBL10862329

SCHEMBL10862329

O=C1CCCC(NC2CCCCC2)=C1O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.34
▸ EPHX1 P07099 5/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL3674894 0.72 HCAR3 (0.40) EPHX1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL11411153 0.66 ALDH1A1 (0.36) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL10865733 0.64 PDGFRB (0.35) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL11149756 0.64 PDE4A (0.38) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL10901784 0.64 — —
SCHEMBL10900798 0.64 — —
SCHEMBL10901746 0.63 L3MBTL1 (0.50) EPHX1
SCHEMBL10897374 0.63 TP53 (0.41) RAB9A
SCHEMBL4753680 0.62 — —
SCHEMBL14384621 0.62 HDAC1 (0.51) KDM4CSMN1; SMN2KDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0196328-A1 ULTRA VIOLET AGENTS AUSTRALIAN INSTITUTE OF MARINE SCIENCE (AU) 1986-10-08 — — EP disclosed
WO-1986002350-A1 ULTRA VIOLET AGENTS AUSTRALIAN INSTITUTE OF MARINE SCIENCE (AU) 1986-04-24 — — WO disclosed
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