SCHEMBL9710184

SCHEMBL9710184

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 7/20 0.38
▸ TPSAB1 Q15661 1/20 0.36
▸ TPSD1 Q9BZJ3 1/20 0.36
▸ TPSG1 Q9NRR2 1/20 0.36
▸ HCRTR1 O43613 2/20 0.34
▸ HCRTR2 O43614 2/20 0.34
▸ CAPN1 P07384 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ACKR3 P25106 2/20 0.33
▸ PLG P00747 1/20 0.32
▸ CCR4 P51679 2/20 0.32
▸ ELANE P08246 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ F2 P00734 1/20 0.32
▸ PRSS1 P07477 1/20 0.32

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
SCHEMBL9666086 0.92 F10 (0.42) F10TPSAB1TPSD1TPSG1PLG
SCHEMBL8954584 0.89 F10 (0.39) F10TPSAB1TPSD1TPSG1HCRTR1
SCHEMBL9710120 0.89 F10 (0.38) F10CAPN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL9664145 0.86 F10 (0.50) F10PLGF2
SCHEMBL9665755 0.86 CASR (0.38) F10CAPN1ELANEF2PRSS1
Iodide SCHEMBL9666229 0.85 F10 (0.49) F10PLGF2
SCHEMBL9710115 0.83 F10 (0.37) F10TPSAB1TPSD1TPSG1HCRTR1
SCHEMBL8954679 0.81 F10 (0.43) F10PLGF2PRSS1
SCHEMBL9665029 0.81 CASR (0.41) F10HCRTR1HCRTR2F2PRSS1
SCHEMBL8954756 0.79 F10 (0.38) F10TPSAB1TPSD1TPSG1HCRTR1

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-1992008709-A1 META-SUBSTITUTED PHENYL ALANINE DERIVATIVES PENTAPHARM AG (CH) 1992-05-29 — — WO disclosed
Send feedback