SCHEMBL7748601

SCHEMBL7748601

CCc1ccccc1S(=O)(=O)NC(CC(=O)OC1CCc2cc(O)ccc21)NC(=O)CCNC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.38
CACNA1B Q00975 3/20 0.34
METAP2 P50579 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ACACB O00763 1/20 0.31
MALT1 Q9UDY8 1/20 0.31
F2 P00734 1/20 0.31
GHSR Q92847 1/20 0.30
DRD2 P14416 1/20 0.30

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
SCHEMBL27463759 0.78 MAPT (0.38) NQO2METAP2CA1CA2ACACB
SCHEMBL7753344 0.76 MALT1 (0.37) NQO2CA1CA2MALT1
SCHEMBL7753616 0.72 SYK (0.45) CACNA1B
SCHEMBL7753603 0.70 NPY5R (0.39) NQO2CA2ACACBDRD2
SCHEMBL7753688 0.68 MEN1 (0.40) CA1CA2MALT1
SCHEMBL27407231 0.66 CA2 (0.38) NQO2CA1CA2MALT1
SCHEMBL7748709 0.66 CACNA1B (0.36) CACNA1BCA1
SCHEMBL27607299 0.64 ESR1 (0.50)
SCHEMBL7125261 0.64 MAPT (0.56) NQO2
SCHEMBL388481 0.63 ESR1 (0.48) NQO2ACACBDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0725059-B1 2,3-DIAMINOPROPIONIC ACID DERIVATIVE SUMITOMO PHARMA (JP) 2001-01-17 EP disclosed
US-6048854-A ANTICOAGULANTS; ANTICANCER AGENT; WOUND HEALING AGENTS;BONE DISORDERS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-04-11 US disclosed
US-5707994-A USEFUL AS A PLATELET AGGREGATION INHIBITOR, CANCER METASTASIS INHIBITOR, WOUND HEALING AGENT OR A BONE RESORPTION INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-01-13 US disclosed
EP-0725059-A1 2,3-DIAMINOPROPIONIC ACID DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-08-07 EP disclosed