SCHEMBL7836030

SCHEMBL7836030

O=C(NNC(Cc1ccccc1)C(=O)O)C1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
ITGB3 P05106 7/20 0.47
ITGA2B P08514 7/20 0.47
ITGAV P06756 1/20 0.46
F10 P00742 1/20 0.45
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL7365216 1.00 LMNA (0.55) LMNATDP1ITGB3ITGA2BITGAV
SCHEMBL7375437 0.88 GAA (0.48) LMNATDP1F10ALDH1A1POLB
SCHEMBL2633261 0.86 LMNA (0.68) LMNATDP1ITGB3ITGA2BALDH1A1
SCHEMBL7367468 0.86 L3MBTL1 (0.48) LMNATDP1ITGB3ITGA2BITGAV
SCHEMBL4412296 0.78 ITGB3 (0.48) LMNATDP1ITGB3ITGA2BITGAV
SCHEMBL4412293 0.78 ITGB3 (0.48) LMNATDP1ITGB3ITGA2BITGAV
SCHEMBL13033926 0.77 LMNA (0.56) LMNATDP1ALDH1A1POLB
SCHEMBL2735629 0.77 LMNA (0.61) LMNATDP1
SCHEMBL9716661 0.76 LMNA (0.82) LMNATDP1ALDH1A1POLB
SCHEMBL9716658 0.76 LMNA (0.82) LMNATDP1ALDH1A1POLB

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-1150997-A1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2001-11-07 EP disclosed
WO-2000043415-A1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2000-07-27 WO disclosed