SCHEMBL8954584

SCHEMBL8954584

N[C@@](Cc1cccc(NC(=O)S)c1)(C(=O)N1CCC(C(=O)O)C2CCCCC21)S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 7/20 0.39
▸ TPSAB1 Q15661 1/20 0.35
▸ TPSD1 Q9BZJ3 1/20 0.35
▸ TPSG1 Q9NRR2 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CAPN1 P07384 1/20 0.34
▸ HCRTR1 O43613 2/20 0.34
▸ HCRTR2 O43614 2/20 0.34
▸ ACKR3 P25106 2/20 0.34
▸ CCR4 P51679 2/20 0.33
▸ AKR1C3 P42330 2/20 0.33
▸ PLG P00747 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ F2 P00734 2/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ PLAU P00749 1/20 0.33
▸ ST14 Q9Y5Y6 1/20 0.33

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
SCHEMBL8954679 0.92 F10 (0.43) F10PLGF2PRSS1PLAU
SCHEMBL9710184 0.89 F10 (0.38) F10TPSAB1TPSD1TPSG1ALDH1A1
SCHEMBL8954816 0.89 F10 (0.39) F10ALDH1A1KMT2ASMN1; SMN2CAPN1
SCHEMBL8954880 0.85 F10 (0.52) F10PLGF2PLAUST14
SCHEMBL8954682 0.85 ALOX5AP (0.38) F10ALDH1A1KMT2ASMN1; SMN2CAPN1
Iodide SCHEMBL8954868 0.84 F10 (0.51) F10PLGF2PLAUST14
SCHEMBL8954756 0.82 F10 (0.38) F10TPSAB1TPSD1TPSG1CAPN1
SCHEMBL9666086 0.81 F10 (0.42) F10TPSAB1TPSD1TPSG1PLG
SCHEMBL9710115 0.79 F10 (0.37) F10TPSAB1TPSD1TPSG1ALDH1A1
SCHEMBL8954708 0.78 CASR (0.39) F10HCRTR1HCRTR2F2PRSS1

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-5518735-A ANTICOAGULANTS ADMINISTERED BY MOUTH PENTAPHARM AG (CH) 1996-05-21 — — US disclosed
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