SCHEMBL9666086

SCHEMBL9666086

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 13/20 0.42
▸ PLG P00747 6/20 0.36
▸ F2 P00734 4/20 0.36
▸ ST14 Q9Y5Y6 3/20 0.36
▸ PLAU P00749 2/20 0.36
▸ TPSAB1 Q15661 1/20 0.35
▸ TPSD1 Q9BZJ3 1/20 0.35
▸ TPSG1 Q9NRR2 1/20 0.35
▸ HPN P05981 1/20 0.35
▸ HGFAC Q04756 1/20 0.35
▸ PROC P04070 1/20 0.35

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
SCHEMBL9710184 0.92 F10 (0.38) F10PLGF2TPSAB1TPSD1
SCHEMBL8954679 0.89 F10 (0.43) F10PLGF2ST14PLAU
SCHEMBL9664145 0.89 F10 (0.50) F10PLGF2ST14PLAU
Iodide SCHEMBL9666229 0.89 F10 (0.49) F10PLGF2ST14PLAU
SCHEMBL9710120 0.88 F10 (0.38) F10PLGF2
SCHEMBL9665755 0.85 CASR (0.38) F10F2
SCHEMBL8954875 0.83 F10 (0.44) F10PLGF2ST14PLAU
SCHEMBL8954584 0.81 F10 (0.39) F10PLGF2ST14PLAU
SCHEMBL9665510 0.81 F10 (0.38) F10PLGF2ST14PLAU
SCHEMBL8954624 0.80 F10 (0.41) F10PLGF2ST14PLAU

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-0511347-A1 META-SUBSTITUTED PHENYL ALANINE DERIVATIVES Pentapharm A.G. (CH) 1992-11-04 — — EP disclosed
WO-1992008709-A1 META-SUBSTITUTED PHENYL ALANINE DERIVATIVES PENTAPHARM AG (CH) 1992-05-29 — — WO disclosed
Send feedback