SCHEMBL9710115

SCHEMBL9710115

N[C@@](Cc1cccc(NC(=O)S)c1)(C(=O)N1CC2CCCCC2CC1OC(=O)O)S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 8/20 0.37
▸ TPSAB1 Q15661 1/20 0.34
▸ TPSD1 Q9BZJ3 1/20 0.34
▸ TPSG1 Q9NRR2 1/20 0.34
▸ CAPN1 P07384 1/20 0.33
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ AKR1C3 P42330 3/20 0.32
▸ F2 P00734 4/20 0.32
▸ PLAU P00749 2/20 0.32
▸ PLG P00747 1/20 0.32
▸ ST14 Q9Y5Y6 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ AKR1C1 Q04828 1/20 0.31
▸ RHOA P61586 1/20 0.31

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
SCHEMBL8954756 0.89 F10 (0.38) F10TPSAB1TPSD1TPSG1CAPN1
SCHEMBL9665283 0.86 F10 (0.48) F10F2PLAUPLGST14
Hydrochloric Acid SCHEMBL9664047 0.85 F10 (0.48) F10F2PLAUPLGST14
SCHEMBL9710184 0.83 F10 (0.38) F10TPSAB1TPSD1TPSG1CAPN1
SCHEMBL9665265 0.80 CASR (0.40) F10F2PLAU
SCHEMBL8954584 0.79 F10 (0.39) F10TPSAB1TPSD1TPSG1CAPN1
SCHEMBL9710706 0.76 OPRM1 (0.36) F10ALDH1A1
SCHEMBL9665510 0.76 F10 (0.38) F10F2PLAUPLGST14
SCHEMBL9666086 0.76 F10 (0.42) F10TPSAB1TPSD1TPSG1F2
SCHEMBL8954767 0.74 F10 (0.50) F10F2PLAUPLGST14

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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