SCHEMBL7113668

SCHEMBL7113668

C[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 7/20 0.50
▸ CASP3 P42574 2/20 0.49
▸ CASP1 P29466 1/20 0.49
▸ CASP2 P42575 1/20 0.49
▸ CASP7 P55210 1/20 0.49
▸ CASP8 Q14790 1/20 0.49
▸ CAPN1 P07384 2/20 0.48
▸ PIN1 Q13526 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ RAMP3 O60896 6/20 0.45
▸ CALCR P30988 6/20 0.45
▸ F2 P00734 1/20 0.45
▸ PLG P00747 1/20 0.45
▸ PRSS1 P07477 1/20 0.45
▸ PRSS2 P07478 1/20 0.45
▸ PRSS3 P35030 1/20 0.45
▸ TPSAB1 Q15661 1/20 0.45

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
SCHEMBL3805702 0.88 RAMP3 (0.55) PIN1RAMP3CALCRF2
SCHEMBL6176082 0.81 RAMP3 (0.54) RAMP3CALCR
SCHEMBL6176075 0.80 RAMP3 (0.52) RAMP3CALCR
SCHEMBL6831579 0.78 CAPN1 (0.51) FOLH1CAPN1PIN1TDP1RAMP3
SCHEMBL7577396 0.77 TDP1 (0.64) FOLH1CASP3CASP1CASP2CASP7
SCHEMBL5406043 0.76 TDP1 (0.56) FOLH1CASP3CASP1CASP2CASP7
SCHEMBL30128547 0.76 PLG (0.47) FOLH1PIN1TDP1F2PLG
SCHEMBL9925691 0.76 PLG (0.62) FOLH1CASP3CASP1CASP2CASP7
SCHEMBL6534725 0.75 CASP3 (0.55) FOLH1CASP3CASP1CASP2CASP7
SCHEMBL16500105 0.74 F2 (0.48) FOLH1CAPN1PIN1TDP1F2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309622-A2 LAT PEPTIDES AND THEIR USE IN ASSAYS FOR IDENTIFYING IMMUNOSUPPRESSANTS Novartis AG (CH) 2003-05-14 — — EP disclosed
WO-2002012275-A2 LAT PEPTIDES AND THEIR USE IN ASSAYS FOR IDENTIFYING IMMUNOSUPPRESSANTS NOVARTIS AG (CH) 2002-02-14 — — WO disclosed
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