SCHEMBL7716175

SCHEMBL7716175

COC(=O)[C@H](Cc1ccc(Nc2nc(C)cc3ccc(F)cc23)cc1)Nc1c(OC(C)C)c(=O)c1=O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 10/20 0.36
NPR3 P17342 1/20 0.35
ELANE P08246 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 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

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
SCHEMBL7716179 0.90 ELANE (0.40) ELANETP53MAPTITGB1ITGA4
SCHEMBL7716169 0.90 ELANE (0.40) ELANETP53MAPTITGB1ITGA4
SCHEMBL7710696 0.85 ITGB1 (0.46) NPR3ELANENOS3NOS1NOS2
SCHEMBL7710690 0.85 ATM (0.39) TP53MAPTITGB1ITGA4
SCHEMBL7716196 0.84 ITGB1 (0.43) ITGB1ITGA4
SCHEMBL7716201 0.84 ITGB1 (0.43) ITGB1ITGA4
SCHEMBL7718440 0.83 MAPT (0.34) P2RX3NPR3ELANENOS3NOS1
SCHEMBL7718435 0.83 MAPT (0.34) P2RX3NPR3ELANENOS3NOS1
SCHEMBL7264618 0.80 ITGB1 (0.43) ITGB1ITGA4
SCHEMBL7716184 0.80 MAPT (0.35) P2RX3TP53MAPTMEN1KMT2A

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