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SCHEMBL1889108

SCHEMBL1889108

CCCCCCCCCCCCOc1cc(C(=O)Nc2cc(NC(=O)c3cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c3)cc(NC(=O)c3cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c3)c2)cc(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SMPD1 P17405 5/20 0.51
▸ GAA P10253 1/20 0.51
▸ NR1H4 Q96RI1 2/20 0.47
▸ GLA P06280 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
SCHEMBL13140615 0.91 GAA (0.49) SMPD1GAANR1H4GLA
SCHEMBL1888063 0.91 GAA (0.49) SMPD1GAANR1H4GLA
SCHEMBL13231106 0.91 GAA (0.49) SMPD1GAANR1H4GLA
SCHEMBL3406313 0.89 NR1H4 (0.55) SMPD1GAANR1H4
SCHEMBL8756745 0.88 CNR2 (0.55) SMPD1GAA
SCHEMBL28285034 0.87 GAA (0.51) SMPD1GAANR1H4
SCHEMBL969363 0.85 SMPD1 (0.53) SMPD1
SCHEMBL30937964 0.85 SMPD1 (0.53) SMPD1
SCHEMBL6111633 0.85 SMPD1 (0.53) SMPD1
SCHEMBL30937962 0.85 SMPD1 (0.53) SMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8568962-B2 Process for preparing a polymeric relief structure STICHTING DUTCH POLYMER INSTITUTE (NL) 2013-10-29 — — US claimed
US-20110104445-A1 PROCESS FOR PREPARING A POLYMERIC RELIEF STRUCTURE STICHTING DUTCH POLYMER INSTITUTE (NL) 2011-05-05 — — US claimed
EP-2109005-A1 Process for preparing a polymeric relief structure Stichting Dutch Polymer Institute (NL) 2009-10-14 — — EP claimed
US-8568962-B2 Process for preparing a polymeric relief structure STICHTING DUTCH POLYMER INSTITUTE (NL) 2013-10-29 — — US disclosed
US-20110104445-A1 PROCESS FOR PREPARING A POLYMERIC RELIEF STRUCTURE STICHTING DUTCH POLYMER INSTITUTE (NL) 2011-05-05 — — US disclosed
EP-2109005-A1 Process for preparing a polymeric relief structure Stichting Dutch Polymer Institute (NL) 2009-10-14 — — EP disclosed