SCHEMBL7716472

SCHEMBL7716472

COC(=O)[C@H](Cc1ccc(Oc2nc(C(F)(F)F)cc3ccccc23)cc1)Nc1c(N2[C@H](C)CC[C@@H]2C)c(=O)c1=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.36
ITGB1 P05556 3/20 0.35
ITGA4 P13612 3/20 0.35
YAP1 P46937 4/20 0.35
MAPT P10636 1/20 0.34
GAA P10253 1/20 0.34
PARP1 P09874 1/20 0.34
PARP3 Q9Y6F1 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
P2RX3 P56373 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
SCHEMBL7716475 1.00 ELANE (0.36) ELANEITGB1ITGA4YAP1MAPT
SCHEMBL7714162 0.89 ELANE (0.37) ELANEITGB1ITGA4YAP1GAA
SCHEMBL7714158 0.89 ELANE (0.37) ELANEITGB1ITGA4YAP1GAA
SCHEMBL7718420 0.89 ITGB1 (0.37) ELANEITGB1ITGA4YAP1GAA
SCHEMBL7718428 0.89 ITGB1 (0.37) ELANEITGB1ITGA4YAP1GAA
SCHEMBL7265026 0.82 ITGB1 (0.44) ITGB1ITGA4
SCHEMBL7265032 0.82 ITGB1 (0.44) ITGB1ITGA4
SCHEMBL7265041 0.82 ITGB1 (0.44) ITGB1ITGA4
SCHEMBL7265036 0.82 ITGB1 (0.44) ITGB1ITGA4
SCHEMBL7716478 0.82 KDM4E (0.33) MAPTKDM4EALDH1A1POLBP2RX3

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