SCHEMBL14102590

SCHEMBL14102590

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 2/20 0.49
▸ CAPN1 P07384 3/20 0.47
▸ CAPN2 P17655 1/20 0.47
▸ MMP3 P08254 2/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ EPHX2 P34913 1/20 0.42
▸ GRIA1 P42261 1/20 0.42
▸ LPAR3 Q9UBY5 4/20 0.42
▸ CXCR2 P25025 2/20 0.41
▸ LPAR1 Q92633 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PSMB5 P28074 1/20 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
SCHEMBL14102767 0.98 TLR2 (0.47) TLR2CAPN1CAPN2MMP3MMP9
SCHEMBL14103240 0.88 MEN1 (0.54) TLR2CAPN1CAPN2GRIA1LPAR3
SCHEMBL14102589 0.88 MEN1 (0.54) TLR2CAPN1CAPN2GRIA1LPAR3
SCHEMBL14102633 0.86 PTPN1 (0.51) GRIA1MEN1ALDH1A1HPGDKMT2A
SCHEMBL14102834 0.84 LPAR3 (0.47) TLR2CAPN1CAPN2MMP3MMP9
SCHEMBL14102634 0.84 CAPN1 (0.49) CAPN1CAPN2MMP3MMP9EPHX2
SCHEMBL14102636 0.82 EPHX2 (0.49) CAPN1CAPN2MMP3MMP9EPHX2
SCHEMBL14103239 0.82 EPHX2 (0.49) CAPN1CAPN2MMP3MMP9EPHX2
SCHEMBL14102639 0.82 EPHX2 (0.49) CAPN1CAPN2MMP3MMP9EPHX2
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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