SCHEMBL8954756

SCHEMBL8954756

N[C@@](Cc1cccc(NC(=O)S)c1)(C(=O)N1CC2CCCCC2CC1C(=O)O)S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 4/20 0.38
▸ CAPN1 P07384 1/20 0.36
▸ AKR1C3 P42330 3/20 0.35
▸ AKR1C1 Q04828 1/20 0.34
▸ ACE P12821 1/20 0.34
▸ TPSAB1 Q15661 1/20 0.34
▸ TPSD1 Q9BZJ3 1/20 0.34
▸ TPSG1 Q9NRR2 1/20 0.34
▸ HCRTR1 O43613 2/20 0.34
▸ HCRTR2 O43614 2/20 0.34
▸ GGPS1 O95749 1/20 0.34
▸ CCR4 P51679 2/20 0.33
▸ F2 P00734 1/20 0.33
▸ PLG P00747 1/20 0.33
▸ PLAU P00749 1/20 0.33
▸ ST14 Q9Y5Y6 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 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
SCHEMBL9710115 0.89 F10 (0.37) F10CAPN1AKR1C3AKR1C1TPSAB1
SCHEMBL8954607 0.85 CASR (0.36) F10CAPN1AKR1C3AKR1C1ACE
SCHEMBL8954767 0.85 F10 (0.50) F10F2PLGPLAUST14
Hydrochloric Acid SCHEMBL8954995 0.84 F10 (0.49) F10F2PLGPLAUST14
SCHEMBL8954584 0.82 F10 (0.39) F10CAPN1AKR1C3TPSAB1TPSD1
SCHEMBL8954875 0.80 F10 (0.44) F10CAPN1TPSAB1TPSD1TPSG1
SCHEMBL9710184 0.79 F10 (0.38) F10CAPN1TPSAB1TPSD1TPSG1
SCHEMBL8954772 0.78 F10 (0.40) F10HCRTR1HCRTR2F2PLAU
SCHEMBL8955038 0.78 F10 (0.47) F10F2PLGPLAUST14
SCHEMBL8954645 0.75 F10 (0.40) F10CAPN1F2PLGPLAU

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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