SCHEMBL14102633

SCHEMBL14102633

CCCCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCCCCCCCC(=O)OCCCc1ccncc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.51
▸ GRIA1 P42261 2/20 0.51
▸ CHRNB2 P17787 1/20 0.51
▸ CHRNB4 P30926 1/20 0.51
▸ CHRNA3 P32297 1/20 0.51
▸ CHRNA4 P43681 1/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ PSMB5 P28074 2/20 0.48
▸ PLG P00747 4/20 0.47
▸ PRSS1 P07477 2/20 0.47
▸ PRSS2 P07478 2/20 0.47
▸ PRSS3 P35030 2/20 0.47
▸ FAAH O00519 2/20 0.46
▸ PLAU P00749 1/20 0.46

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
SCHEMBL14102767 0.88 TLR2 (0.47) GRIA1MEN1ALDH1A1HPGDKMT2A
SCHEMBL14102590 0.86 TLR2 (0.49) GRIA1MEN1ALDH1A1HPGDKMT2A
SCHEMBL14102644 0.85 GRIA1 (0.56) PTPN1GRIA1CHRNB2CHRNB4CHRNA3
SCHEMBL12148893 0.85 GRIA1 (0.66) GRIA1
SCHEMBL14102592 0.85 EPHX2 (0.59) GRIA1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL14102642 0.85 EPHX2 (0.59) GRIA1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL14102844 0.85 EPHX2 (0.59) GRIA1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6438848 0.83 CHRNB2 (0.69) PTPN1GRIA1CHRNB2CHRNB4CHRNA3
SCHEMBL9519035 0.83 CHRNB2 (0.69) PTPN1GRIA1CHRNB2CHRNB4CHRNA3
SCHEMBL14102833 0.81 MEN1 (0.53) PTPN1GRIA1MEN1ALDH1A1HPGD

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-2008102127-A2 GEL FORMING COMPOUNDS PLIVA HRVATSKA D.O.O. (HR) 2008-08-28 — — WO disclosed
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