SCHEMBL9710875

SCHEMBL9710875

CC1CCN(C(=O)[C@@](N)(Cc2ccccc2)S(=O)(=O)c2ccc3ccccc3c2)C(C(=O)O)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 2/20 0.46
▸ F2 P00734 6/20 0.44
▸ LMNA P02545 1/20 0.42
▸ MCOLN3 Q8TDD5 1/20 0.42
▸ CAPN1 P07384 1/20 0.40
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C1 Q04828 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ CCR4 P51679 1/20 0.38

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
SCHEMBL8954946 0.94 F10 (0.45) F10F2LMNAMCOLN3CAPN1
SCHEMBL8955038 0.88 F10 (0.47) F10F2PRSS1
Iodide SCHEMBL9710508 0.78 F10 (0.51) F10F2PRSS1
SCHEMBL8954706 0.78 F10 (0.52) F10F2
SCHEMBL8954993 0.77 CASR (0.41) F10F2CAPN1ALDH1A1PRSS1
SCHEMBL8954656 0.77 AKR1C3 (0.39) F10F2CAPN1AKR1C3AKR1C1
Hydrochloric Acid SCHEMBL8954922 0.76 F10 (0.51) F10F2PRSS1
SCHEMBL9710871 0.76 F10 (0.69) F10F2
SCHEMBL8954875 0.75 F10 (0.44) F10F2CAPN1PRSS1
SCHEMBL8954942 0.75 F10 (0.69) F10F2

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-1992016549-A1 PARASUBSTITUTED PHENYLALANINE DERIVATES PENTAPHARM AG (CH) 1992-10-01 — — WO disclosed
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