SCHEMBL14103239

SCHEMBL14103239

CCCCCCCCCCCC(=O)N[C@@H](CC(C)C)C(=O)NCCCCCCCCCCC(=O)NCc1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.49
▸ GRIA1 P42261 1/20 0.48
▸ LPAR3 Q9UBY5 4/20 0.48
▸ LPAR1 Q92633 2/20 0.48
▸ CAPN1 P07384 2/20 0.47
▸ CAPN2 P17655 1/20 0.47
▸ TRPV1 Q8NER1 1/20 0.46
▸ PSMB5 P28074 2/20 0.46
▸ MMP3 P08254 1/20 0.45
▸ MMP9 P14780 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ FAAH O00519 2/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ NAAA Q02083 1/20 0.44

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
SCHEMBL14102639 1.00 EPHX2 (0.49) EPHX2GRIA1LPAR3LPAR1CAPN1
SCHEMBL14102636 1.00 EPHX2 (0.49) EPHX2GRIA1LPAR3LPAR1CAPN1
SCHEMBL14102634 0.98 CAPN1 (0.49) EPHX2GRIA1LPAR3LPAR1CAPN1
SCHEMBL14103242 0.89 LMNA (0.47) EPHX2TRPV1PSMB5MMP3MMP9
SCHEMBL14102771 0.87 EPHX2 (0.53) EPHX2GRIA1TRPV1LMNAMAPT
SCHEMBL14102595 0.87 EPHX2 (0.53) EPHX2GRIA1TRPV1LMNAMAPT
SCHEMBL14102589 0.86 MEN1 (0.54) GRIA1LPAR3LPAR1CAPN1CAPN2
SCHEMBL14103240 0.86 MEN1 (0.54) GRIA1LPAR3LPAR1CAPN1CAPN2
SCHEMBL14102640 0.86 HDAC3 (0.53) EPHX2GRIA1LPAR3LPAR1CAPN1
SCHEMBL14102642 0.86 EPHX2 (0.59) EPHX2GRIA1PSMB5FAAH

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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