SCHEMBL9942237

SCHEMBL9942237

CCCCCCC/C=C/CCCCCCC(=O)NCCCCC(N)C(=O)OCC[Si](C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 2/20 0.57
▸ EPHX2 P34913 2/20 0.55
▸ LPAR1 Q92633 3/20 0.50
▸ LPAR2 Q9HBW0 3/20 0.50
▸ ENPP2 Q13822 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ CNR1 P21554 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ TRPV1 Q8NER1 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL9933128 1.00 SLC6A5 (0.57) SLC6A5EPHX2LPAR1LPAR2ENPP2
SCHEMBL9933130 1.00 SLC6A5 (0.57) SLC6A5EPHX2LPAR1LPAR2ENPP2
SCHEMBL9934475 1.00 SLC6A5 (0.57) SLC6A5EPHX2LPAR1LPAR2ENPP2
SCHEMBL9933132 1.00 SLC6A5 (0.57) SLC6A5EPHX2LPAR1LPAR2ENPP2
SCHEMBL9934473 1.00 SLC6A5 (0.57) SLC6A5EPHX2LPAR1LPAR2ENPP2
SCHEMBL9934468 1.00 SLC6A5 (0.57) SLC6A5EPHX2LPAR1LPAR2ENPP2
SCHEMBL9933918 0.97 KDM4E (0.55) SLC6A5EPHX2KDM4ECNR1ALDH1A1
SCHEMBL9933913 0.97 KDM4E (0.55) SLC6A5EPHX2KDM4ECNR1ALDH1A1
SCHEMBL9933919 0.97 KDM4E (0.55) SLC6A5EPHX2KDM4ECNR1ALDH1A1
SCHEMBL9933916 0.97 KDM4E (0.55) SLC6A5EPHX2KDM4ECNR1ALDH1A1

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-2652134-A2 GALACTOSE CLUSTER-PHARMACOKINETIC MODULATOR TARGETING MOIETY FOR SIRNA Arrowhead Research Corporation (US) 2013-10-23 — — EP disclosed
WO-2012083046-A2 GALACTOSE CLUSTER-PHARMACOKINETIC MODULATOR TARGETING MOIETY FOR SIRNA ARROWHEAD RESEARCH CORPORATION (US) 2012-06-21 — — WO disclosed
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