SCHEMBL14102767

SCHEMBL14102767

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 1/20 0.47
▸ CAPN1 P07384 1/20 0.44
▸ CAPN2 P17655 1/20 0.44
▸ LPAR3 Q9UBY5 4/20 0.44
▸ GRIA1 P42261 1/20 0.44
▸ LPAR1 Q92633 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ MMP3 P08254 2/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ EPHX2 P34913 1/20 0.42
▸ CXCR2 P25025 2/20 0.41
▸ PSMB5 P28074 1/20 0.41
▸ PLG P00747 2/20 0.41

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
SCHEMBL14102590 0.98 TLR2 (0.49) TLR2CAPN1CAPN2LPAR3GRIA1
SCHEMBL14103240 0.90 MEN1 (0.54) TLR2CAPN1CAPN2LPAR3GRIA1
SCHEMBL14102589 0.90 MEN1 (0.54) TLR2CAPN1CAPN2LPAR3GRIA1
SCHEMBL14102633 0.88 PTPN1 (0.51) GRIA1MEN1ALDH1A1HPGDKMT2A
SCHEMBL14102636 0.84 EPHX2 (0.49) CAPN1CAPN2LPAR3GRIA1LPAR1
SCHEMBL14102639 0.84 EPHX2 (0.49) CAPN1CAPN2LPAR3GRIA1LPAR1
SCHEMBL14103239 0.84 EPHX2 (0.49) CAPN1CAPN2LPAR3GRIA1LPAR1
SCHEMBL14102834 0.82 LPAR3 (0.47) TLR2CAPN1CAPN2LPAR3GRIA1
SCHEMBL14102634 0.82 CAPN1 (0.49) CAPN1CAPN2LPAR3GRIA1LPAR1
SCHEMBL10503630 0.79 DGKA (0.60) TLR2HPGD

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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