SCHEMBL15028202

SCHEMBL15028202

Cc1c(C(=O)OCC2CCCCC2)oc2cccc(OC3CCNCC3)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 1/20 0.65
▸ KDM4E B2RXH2 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47

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
SCHEMBL6870594 0.88 NMT1 (0.71) NMT1KDM4ENPC1RAB9AHSD17B10
SCHEMBL15028327 0.83 NMT1 (0.80) NMT1
SCHEMBL15028281 0.82 NMT1 (0.75) NMT1
SCHEMBL15028348 0.82 NMT1 (0.70) NMT1KDM4ENPC1RAB9AHSD17B10
SCHEMBL15028199 0.82 NMT1 (0.69) NMT1
SCHEMBL15028198 0.81 NMT1 (0.82) NMT1
SCHEMBL15028197 0.80 NMT1 (0.67) NMT1
SCHEMBL15013773 0.79 NMT1 (0.66) NMT1
SCHEMBL15028346 0.79 NMT1 (0.79) NMT1
SCHEMBL15028350 0.79 NMT1 (1.00) NMT1

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
WO-2013083991-A1 NOVEL COMPOUNDS AND THEIR USE IN THERAPY IMPERIAL INNOVATIONS LIMITED (GB) 2013-06-13 — — WO disclosed
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