SCHEMBL14102589

SCHEMBL14102589

CCCCCCCCCCCC(=O)N[C@@H](CC(C)C)C(=O)NCCCCCC(=O)OCc1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ CAPN1 P07384 1/20 0.53
▸ CAPN2 P17655 1/20 0.53
▸ GRIA1 P42261 1/20 0.48
▸ CTSL P07711 1/20 0.47
▸ CTSS P25774 1/20 0.47
▸ CTSK P43235 1/20 0.47
▸ SIRT2 Q8IXJ6 4/20 0.47
▸ LPAR3 Q9UBY5 4/20 0.46
▸ PLG P00747 4/20 0.46
▸ PRSS1 P07477 2/20 0.46
▸ PRSS2 P07478 2/20 0.46
▸ PRSS3 P35030 2/20 0.46
▸ PLAU P00749 1/20 0.46
▸ LPAR1 Q92633 2/20 0.45
▸ TLR2 O60603 1/20 0.45
▸ SIRT1 Q96EB6 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
SCHEMBL14103240 1.00 MEN1 (0.54) MEN1ALDH1A1HPGDKMT2ACAPN1
SCHEMBL14102767 0.90 TLR2 (0.47) MEN1ALDH1A1HPGDKMT2ACAPN1
SCHEMBL14102590 0.88 TLR2 (0.49) MEN1ALDH1A1HPGDKMT2ACAPN1
SCHEMBL14102636 0.86 EPHX2 (0.49) CAPN1CAPN2GRIA1LPAR3LPAR1
SCHEMBL14102639 0.86 EPHX2 (0.49) CAPN1CAPN2GRIA1LPAR3LPAR1
SCHEMBL14103239 0.86 EPHX2 (0.49) CAPN1CAPN2GRIA1LPAR3LPAR1
SCHEMBL14102834 0.85 LPAR3 (0.47) CAPN1CAPN2GRIA1LPAR3LPAR1
SCHEMBL14102634 0.84 CAPN1 (0.49) CAPN1CAPN2GRIA1LPAR3LPAR1
SCHEMBL14103241 0.82 MEN1 (0.55) MEN1ALDH1A1HPGDKMT2ASIRT2
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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