SCHEMBL7753600

SCHEMBL7753600

CC(C)(C)OC(=O)NC[C@H](NS(=O)(=O)c1ccccc1)C(=O)Oc1ccc2c(c1)CCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
GLA P06280 4/20 0.41
GAA P10253 4/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
METAP2 P50579 1/20 0.41
PTGES O14684 1/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
BCL2 P10415 1/20 0.40
ITGB3 P05106 8/20 0.39
ITGA2B P08514 7/20 0.39
ACACB O00763 1/20 0.39

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
SCHEMBL7748597 0.84 ALDH1A1 (0.39) ALDH1A1GLAGAAHPGDKDM4E
SCHEMBL7752526 0.82 SYK (0.56) ALDH1A1GLAGAAHPGDKDM4E
SCHEMBL7400840 0.81 SYK (0.46) ALDH1A1HPGDMAPTHSD17B10BCL2
SCHEMBL7400842 0.81 SYK (0.46) ALDH1A1HPGDMAPTHSD17B10BCL2
SCHEMBL7752664 0.80 SYK (0.47) ALDH1A1KDM4EMAPTTSHRHSD17B10
SCHEMBL27464973 0.79 ITGAV (0.53) ALDH1A1MAPTITGB3ITGA2BITGAV
SCHEMBL7041551 0.79 ITGAV (0.53) ALDH1A1MAPTITGB3ITGA2BITGAV
SCHEMBL7753612 0.77 SYK (0.49) ALDH1A1GLAGAAKDM4EMAPT
SCHEMBL7748751 0.76 SYK (0.42) ALDH1A1MAPTTSHRBCL2ITGB3
SCHEMBL7753603 0.74 NPY5R (0.39) ALDH1A1MAPTBCL2ITGB3ITGA2B

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 5 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
CN-1138322-A 2,3-diaminopropionic acid derivative SUMITOMO PHARMA (JP) 1996-12-18 CN disclosed
EP-0725059-A1 2,3-DIAMINOPROPIONIC ACID DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-08-07 EP disclosed