SCHEMBL10083874

SCHEMBL10083874

CCCCCCC/C=C/CCCCCCC(=O)NCCCC[C@H](C)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.71
▸ SLC6A5 Q9Y345 2/20 0.65
▸ KDM4E B2RXH2 1/20 0.62
▸ CNR1 P21554 6/20 0.59
▸ LPAR1 Q92633 1/20 0.59
▸ ALDH1A1 P00352 2/20 0.58
▸ HPGD P15428 2/20 0.58
▸ FAAH O00519 2/20 0.58
▸ CNR2 P34972 2/20 0.58
▸ TRPV1 Q8NER1 1/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ ALOX12 P18054 1/20 0.58
▸ BLM P54132 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ LPAR2 Q9HBW0 1/20 0.57

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
SCHEMBL12666301 0.92 CASP2 (0.59) EPHX2SLC6A5KDM4EFAAHMEN1
SCHEMBL47703 0.92 CASP2 (0.59) EPHX2SLC6A5KDM4EFAAHMEN1
SCHEMBL10088131 0.90 CASP2 (0.56) EPHX2SLC6A5CNR1HPGDFAAH
SCHEMBL17273870 0.88 EPHX2 (0.65) EPHX2
SCHEMBL10802572 0.88 EPHX2 (0.72) EPHX2SLC6A5KDM4ECNR1LPAR1
SCHEMBL1999120 0.88 EPHX2 (0.72) EPHX2SLC6A5KDM4ECNR1LPAR1
SCHEMBL1999124 0.88 EPHX2 (0.72) EPHX2SLC6A5KDM4ECNR1LPAR1
SCHEMBL25334864 0.86 EPHX2 (0.88) EPHX2SLC6A5KDM4ECNR1LPAR1
SCHEMBL10481762 0.86 EPHX2 (0.88) EPHX2SLC6A5KDM4ECNR1LPAR1
SCHEMBL3375110 0.86 EPHX2 (0.88) EPHX2SLC6A5KDM4ECNR1LPAR1

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-2012083046-A2 GALACTOSE CLUSTER-PHARMACOKINETIC MODULATOR TARGETING MOIETY FOR SIRNA ARROWHEAD RESEARCH CORPORATION (US) 2012-06-21 — — WO disclosed
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