SCHEMBL7710696

SCHEMBL7710696

CCN(CC)c1c(N[C@@H](Cc2ccc(Nc3nc(C)cc4ccc(F)cc34)cc2)C(=O)OC)c(=O)c1=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 10/20 0.46
ITGA4 P13612 10/20 0.46
NPR3 P17342 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NOS2 P35228 2/20 0.33
ELANE P08246 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
TP53 P04637 1/20 0.32
CA12 O43570 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
KDM1A O60341 1/20 0.31

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
SCHEMBL7715545 0.92 ITGB1 (0.53) ITGB1ITGA4
SCHEMBL7716163 0.90 ITGB1 (0.48) ITGB1ITGA4MEN1KMT2AELANE
SCHEMBL7710715 0.85 ITGB1 (0.57) ITGB1ITGA4TP53KDM1A
SCHEMBL7716175 0.85 P2RX3 (0.36) ITGB1ITGA4NPR3MEN1KMT2A
SCHEMBL7715542 0.84 ITGB1 (0.41) ITGB1ITGA4MEN1KMT2AELANE
SCHEMBL7714223 0.83 ITGB1 (0.55) ITGB1ITGA4
SCHEMBL7718440 0.82 MAPT (0.34) ITGB1ITGA4NPR3MEN1KMT2A
SCHEMBL7718435 0.82 MAPT (0.34) ITGB1ITGA4NPR3MEN1KMT2A
SCHEMBL7710752 0.82 ITGB1 (0.54) ITGB1ITGA4NPR3MEN1KMT2A
SCHEMBL7259942 0.80 ITGB1 (0.55) ITGB1ITGA4

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
US-6403608-B1 ANTIINFLAMMATORY AND IMMUNE DISORDERS CELLTECH R&D, LTD. (GB) 2002-06-11 US disclosed