SCHEMBL8021733

SCHEMBL8021733

CCCCOC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)CBr

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
ALOX12 P18054 1/20 0.47
MGLL Q99685 2/20 0.45
ACE P12821 2/20 0.44
ACE2 Q9BYF1 2/20 0.44
CTSL P07711 2/20 0.42
ALDH1A1 P00352 2/20 0.41
EPHX1 P07099 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TGM2 P21980 1/20 0.41
SSTR3 P32745 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
PPARG P37231 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
SCHEMBL8002622 0.90 LMNA (0.48) MEN1MAPTKMT2ALMNAALOX12
Iodide SCHEMBL8013938 0.88 LMNA (0.47) MEN1MAPTKMT2ALMNAALOX12
SCHEMBL909810 0.88 CA2 (0.51) MEN1MAPTKMT2ALMNAALOX12
SCHEMBL5954165 0.88 MEN1 (0.50) MEN1MAPTKMT2ALMNAALOX12
SCHEMBL3821974 0.88 MEN1 (0.50) MEN1MAPTKMT2ALMNAALOX12
SCHEMBL909808 0.88 CA2 (0.51) MEN1MAPTKMT2ALMNAALOX12
SCHEMBL4728709 0.84 MEN1 (0.47) MEN1MAPTKMT2ALMNAALOX12
SCHEMBL500869 0.81 PPARG (0.56) MEN1KMT2ALMNAACECTSL
SCHEMBL17083262 0.81 PPARG (0.56) MEN1KMT2ALMNAACECTSL
SCHEMBL468113 0.81 PPARG (0.56) MEN1KMT2ALMNAACECTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000053172-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-09-14 WO disclosed