SCHEMBL7825555

SCHEMBL7825555

O=C1CC(C(=O)OC(=O)C(Br)Br)N1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.34
ITGB2 P05107 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGAV P06756 1/20 0.34
ITGA2B P08514 1/20 0.34
ITGA5 P08648 1/20 0.34
ITGB5 P18084 1/20 0.34
ITGAL P20701 1/20 0.34

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
Dibromoacetic Acid SCHEMBL7825550 0.72 THRB (0.42) ITGB3ITGB2ITGB1ITGAVITGA2B
SCHEMBL8745451 0.71
SCHEMBL6506166 0.71 KDM4E (0.45) ITGB3ITGB2ITGB1ITGAVITGA2B
SCHEMBL27906372 0.67 ITGB3 (0.32) ITGB3ITGB2ITGB1ITGAVITGA2B
SCHEMBL11037027 0.66 ALDH1A1 (0.42)
SCHEMBL967289 0.65 ALDH1A1 (0.44)
SCHEMBL690089 0.65
SCHEMBL690090 0.65
SCHEMBL1300246 0.65
SCHEMBL10755712 0.64 ITGB3 (0.33) ITGB3ITGB2ITGB1ITGAVITGA2B

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
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed