SCHEMBL14102597

SCHEMBL14102597

CCCCCCCCCC(=O)NC(CCCSC)C(=O)NCCCCCCCCCCC(=O)NCc1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 2/20 0.47
▸ GRIA1 P42261 1/20 0.46
▸ EPHX2 P34913 1/20 0.46
▸ LPAR3 Q9UBY5 4/20 0.45
▸ LPAR1 Q92633 2/20 0.45
▸ GLP1R P43220 8/20 0.44
▸ TLR2 O60603 2/20 0.43

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 0.84 EPHX2 (0.49) GRIA1EPHX2LPAR3LPAR1
SCHEMBL14102636 0.84 EPHX2 (0.49) GRIA1EPHX2LPAR3LPAR1
SCHEMBL14103239 0.84 EPHX2 (0.49) GRIA1EPHX2LPAR3LPAR1
SCHEMBL14102642 0.83 EPHX2 (0.59) GRIA1EPHX2
SCHEMBL14102844 0.83 EPHX2 (0.59) GRIA1EPHX2
SCHEMBL14102592 0.83 EPHX2 (0.59) GRIA1EPHX2
SCHEMBL14102634 0.82 CAPN1 (0.49) GRIA1EPHX2LPAR3LPAR1
SCHEMBL14102771 0.82 EPHX2 (0.53) GRIA1EPHX2
SCHEMBL14102595 0.82 EPHX2 (0.53) GRIA1EPHX2
SCHEMBL12148893 0.81 GRIA1 (0.66) GRIA1

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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