SCHEMBL7716169

SCHEMBL7716169

COC(=O)[C@H](Cc1ccc(Nc2nc(C)cc3ccccc23)cc1)Nc1c(OC(C)C)c(=O)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.40
MAPT P10636 5/20 0.37
EGFR P00533 1/20 0.36
KDR P35968 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
GAA P10253 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TP53 P04637 1/20 0.35

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 1.00 ELANE (0.40) ELANEMAPTEGFRKDRITGB1
SCHEMBL7716175 0.90 P2RX3 (0.36) ELANEMAPTITGB1ITGA4GAA
SCHEMBL7716163 0.84 ITGB1 (0.48) ELANEMAPTEGFRKDRITGB1
SCHEMBL7259939 0.83 ITGB1 (0.47) ITGB1ITGA4
SCHEMBL7716191 0.83 ITGB1 (0.43) ITGB1ITGA4
SCHEMBL7716188 0.83 ITGB1 (0.43) ITGB1ITGA4
SCHEMBL7258056 0.83 ITGB1 (0.43) ITGB1ITGA4TACR3
SCHEMBL7259945 0.83 ITGB1 (0.47) ITGB1ITGA4
SCHEMBL7258050 0.83 ITGB1 (0.43) ITGB1ITGA4TACR3
SCHEMBL7258656 0.83 ELANE (0.38) ELANEMAPTEGFRKDRITGB1

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