SCHEMBL9733682

SCHEMBL9733682

Cc1ccc(S(=O)(=O)NCCCC[C@@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@H](C=O)CCCNC(=N)N)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.40
F2 P00734 12/20 0.39
PLG P00747 4/20 0.39
PRSS1 P07477 10/20 0.38
F10 P00742 3/20 0.38
PRSS2 P07478 7/20 0.38
PRSS3 P35030 7/20 0.38
NTSR2 O95665 1/20 0.37
NTSR1 P30989 1/20 0.37
SORT1 Q99523 1/20 0.37
OPRM1 P35372 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CTSB P07858 1/20 0.37

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
Hydrochloric Acid SCHEMBL9733306 0.99 CAPN1 (0.40) CAPN1F2PLGPRSS1F10
Sulfuric Acid SCHEMBL9618234 0.99 CAPN1 (0.40) CAPN1F2PLGPRSS1F10
Sulfuric Acid SCHEMBL9733730 0.89 DPP4 (0.47) F2PLGPRSS1F10NTSR2
Sulfuric Acid SCHEMBL9733149 0.88 F2 (0.47) CAPN1F2PLGPRSS1F10
Sulfuric Acid SCHEMBL9733510 0.86 F2 (0.39) F2PLGPRSS1F10NTSR2
Sulfuric Acid SCHEMBL9733269 0.85 F2 (0.40) F2PLGPRSS1F10NTSR2
Sulfuric Acid SCHEMBL9733268 0.85 PLG (0.39) F2PLGPRSS1F10NTSR2
Sulfuric Acid SCHEMBL9733221 0.83 DPP4 (0.45) F2PLGPRSS1F10OPRM1
Sulfuric Acid SCHEMBL9733800 0.82 HTR7 (0.43) F2PLGPRSS1F10ALDH1A1
Sulfuric Acid SCHEMBL9733332 0.82 F2 (0.47) F2PLGPRSS1F10OPRM1

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
US-5153176-A Substituted lysine-proline-arginine peptide NITTO BOSEKI CO., LTD. (JP) 1992-10-06 US disclosed