SCHEMBL8942142

SCHEMBL8942142

CN(C(=O)c1ccccc1S)[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NC(=O)c1ccccc1S

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.64
ITGA2B P08514 6/20 0.64
TACR3 P29371 3/20 0.36
ITGB1 P05556 8/20 0.35
ITGAV P06756 8/20 0.35
ITGA5 P08648 8/20 0.35
MDM2 Q00987 7/20 0.35
MDM4 O15151 4/20 0.35
QRFPR Q96P65 1/20 0.34
IL23R Q5VWK5 1/20 0.33
TFPI P10646 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
SCHEMBL7345324 0.80 ITGB3 (0.44) ITGB3ITGA2BTACR3ITGB1ITGAV
SCHEMBL7345450 0.75 ITGB3 (0.48) ITGB3ITGA2BITGB1ITGAVITGA5
SCHEMBL7345936 0.75 ITGB3 (0.46) ITGB3ITGA2BITGB1ITGAVITGA5
SCHEMBL7353534 0.74 ITGB3 (0.45) ITGB3ITGA2BITGB1ITGAVITGA5
SCHEMBL7352151 0.71 ITGB3 (0.44) ITGB3ITGA2BITGB1ITGAVITGA5
SCHEMBL7345928 0.69 PTGER4 (0.51)
SCHEMBL7308890 0.68 NPY4R (0.40)
SCHEMBL7344786 0.67 ITGB3 (0.37) ITGB3ITGA2BITGB1ITGAVITGA5
SCHEMBL7318679 0.67 ITGB3 (0.48) ITGB3ITGA2BITGB1ITGAVITGA5
SCHEMBL31637483 0.67 NPY4R (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0746331-A1 CONVERTIBLE MICROEMULSION FORMULATIONS IBAH, Inc. (US) 1996-12-11 EP disclosed
EP-0746331-A4 CONVERTIBLE MICROEMULSION FORMULATIONS IBAH INC (US) 1996-07-29 EP disclosed
WO-1994008604-A1 CONVERTIBLE MICROEMULSION FORMULATIONS AFFINITY BIOTECH, INC. (US) 1994-04-28 WO disclosed