SCHEMBL8954816

SCHEMBL8954816

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 5/20 0.39
▸ AKR1C3 P42330 4/20 0.36
▸ GRM2 Q14416 1/20 0.36
▸ GRM3 Q14832 1/20 0.36
▸ AKR1C1 Q04828 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CAPN1 P07384 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CCR4 P51679 2/20 0.34
▸ ELANE P08246 1/20 0.34
▸ PLG P00747 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ F2 P00734 2/20 0.34

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
SCHEMBL8954682 0.90 ALOX5AP (0.38) F10AKR1C3ALDH1A1KMT2ASMN1; SMN2
SCHEMBL8954880 0.90 F10 (0.52) F10PLGF2
Iodide SCHEMBL8954868 0.89 F10 (0.51) F10PLGF2
SCHEMBL8954584 0.89 F10 (0.39) F10AKR1C3ALDH1A1KMT2ASMN1; SMN2
SCHEMBL9710120 0.88 F10 (0.38) F10AKR1C3ALDH1A1KMT2ASMN1; SMN2
SCHEMBL8954679 0.88 F10 (0.43) F10PLGF2
SCHEMBL8954656 0.84 AKR1C3 (0.39) F10AKR1C3GRM2GRM3AKR1C1
SCHEMBL8954708 0.81 CASR (0.39) F10F2
SCHEMBL8954946 0.81 F10 (0.45) F10AKR1C3AKR1C1CAPN1F2
SCHEMBL8954813 0.80 F10 (0.63) 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
US-5518735-A ANTICOAGULANTS ADMINISTERED BY MOUTH PENTAPHARM AG (CH) 1996-05-21 — — US disclosed
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