SCHEMBL8719765

SCHEMBL8719765

COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)C(CC(=O)O)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.46
AVPR1A P37288 1/20 0.44
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
KAT6A Q92794 1/20 0.40
DAGLA Q9Y4D2 1/20 0.40
F10 P00742 1/20 0.40
PLG P00747 1/20 0.40
PLAT P00750 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
MMP2 P08253 1/20 0.40

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
SCHEMBL7304341 1.00 F2 (0.46) F2AVPR1AALDH1A1POLBCNR1
SCHEMBL7306450 0.90 F2 (0.43) F2AVPR1AALDH1A1POLBCNR1
SCHEMBL8716935 0.86 GAA (0.46) F2ALDH1A1POLBPLGPLAT
SCHEMBL8947833 0.81 F2 (0.55) F2
SCHEMBL8717104 0.80 F2 (0.47) F2F10PLGPLATPRSS1
SCHEMBL8716908 0.78 F2 (0.54) F2ALDH1A1POLBF10PLG
Acetic Acid SCHEMBL8947926 0.78 F2 (0.63) F2
SCHEMBL7334523 0.77 GAA (0.42) F2ALDH1A1POLBPLGPLAT
SCHEMBL7306534 0.76 F2 (0.47) F2
SCHEMBL8717107 0.76 GAA (0.45) F2ALDH1A1PLG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5763604-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed
US-5405854-A Anticoagulants HOFFMANN-LA ROCHE INC. (US) 1995-04-11 US disclosed