SCHEMBL9710120

SCHEMBL9710120

Nc1cccc(C[C@](N)(C(=O)N2CCC(OC(=O)O)C3CCCCC32)S(=O)(=O)c2ccc3ccccc3c2)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 8/20 0.38
▸ ELANE P08246 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
▸ CCR4 P51679 2/20 0.33
▸ AKR1C3 P42330 2/20 0.33
▸ PLG P00747 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ F2 P00734 2/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ CHRM3 P20309 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
SCHEMBL9665755 0.90 CASR (0.38) F10ELANECAPN1F2PRSS1
SCHEMBL9664145 0.90 F10 (0.50) F10PLGF2
Iodide SCHEMBL9666229 0.90 F10 (0.49) F10PLGF2
SCHEMBL9710184 0.89 F10 (0.38) F10ELANEALDH1A1KMT2ASMN1; SMN2
SCHEMBL9666086 0.88 F10 (0.42) F10PLGF2
SCHEMBL8954816 0.88 F10 (0.39) F10ELANEALDH1A1KMT2ASMN1; SMN2
SCHEMBL9665029 0.82 CASR (0.41) F10F2PRSS1
SCHEMBL8954682 0.79 ALOX5AP (0.38) F10ALDH1A1KMT2ASMN1; SMN2CAPN1
SCHEMBL8954880 0.79 F10 (0.52) F10PLGF2
Iodide SCHEMBL8954868 0.78 F10 (0.51) F10PLGF2

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
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