SCHEMBL8722985

SCHEMBL8722985

COC(=O)CN1CCN(CC(=O)OC)CCN(N(C(C)=O)c2ccc(NC(=O)[C@@H](N)CC(=O)O)cc2)CCN(CC(=O)OC)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.43
S1PR3 Q99500 1/20 0.43
LTA4H P09960 2/20 0.42
MAPT P10636 2/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 2/20 0.36
OPRD1 P41143 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TACR1 P25103 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
SCHEMBL8722938 0.84 AAK1 (0.40) MAPTALDH1A1LMNAPOLBMEN1
SCHEMBL8719295 0.82 POLB (0.47) MAPTALDH1A1KDM4ELMNAPOLB
SCHEMBL8722456 0.79 RAD52 (0.37) MAPTALDH1A1KDM4ELMNAPOLB
Hydrochloric Acid SCHEMBL8719317 0.78 RAD52 (0.36) MAPTALDH1A1KDM4ELMNAPOLB
SCHEMBL8724174 0.77 POLB (0.42) MAPTALDH1A1KDM4ELMNAPOLB
SCHEMBL4581605 0.72 MAPT (0.42) MAPTALDH1A1KDM4ELMNAPOLB
SCHEMBL4581596 0.71 SLC6A9 (0.39) S1PR1MAPTALDH1A1LMNA
SCHEMBL8723002 0.70 SLC6A9 (0.38) S1PR1MAPTALDH1A1LMNA
SCHEMBL4581496 0.69 MAPT (0.42) MAPTALDH1A1KDM4ELMNAPOLB
SCHEMBL25773677 0.68 S1PR1 (0.56) S1PR1S1PR3LTA4HMAPTALDH1A1

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-0814849-A1 MAGNETICALLY LABELED CHEMOATTRACTANTS AS TARGETED CONTRAST AGENTS IN THE NMR IMAGING OF LIVING TISSUES BRACCO International B.V. (NL) 1998-01-07 EP disclosed
WO-1997014443-A1 MAGNETICALLY LABELED CHEMOATTRACTANTS AS TARGETED CONTRAST AGENTS IN THE NMR IMAGING OF LIVING TISSUES BRACCO INTERNATIONAL B.V. (NL) 1997-04-24 WO disclosed