SCHEMBL8954996

SCHEMBL8954996

COC(=O)C1Cc2ccccc2CN1C(=O)[C@@](N)(Cc1cccc(N)c1)S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 6/20 0.39
▸ PLAU P00749 2/20 0.37
▸ PTPN1 P18031 1/20 0.36
▸ NR1D1 P20393 1/20 0.36
▸ MMP8 P22894 4/20 0.35
▸ MMP3 P08254 2/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ PTGER3 P43115 1/20 0.35
▸ HTR7 P34969 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
SCHEMBL9710123 0.89 F10 (0.37) F10PLAUMMP1MMP9MMP13
SCHEMBL8954843 0.80 MMP8 (0.38) F10MMP8MMP3
SCHEMBL8954783 0.80 F10 (0.49) F10PLAU
SCHEMBL8954645 0.80 F10 (0.40) F10PLAU
SCHEMBL8954944 0.80 CASR (0.38) F10PLAUMMP8MMP3MMP13
SCHEMBL9710558 0.76 MMP8 (0.38) F10MMP8MMP3MMP1MMP9
SCHEMBL8954946 0.75 F10 (0.45) F10PLAU
SCHEMBL8954799 0.75 F10 (0.48) F10PLAU
SCHEMBL9665510 0.75 F10 (0.38) F10PLAU
SCHEMBL8955009 0.74 HTT (0.52) F10PLAU

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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