SCHEMBL7716455

SCHEMBL7716455

COC(=O)[C@H](Cc1ccc(Nc2nc(C)cc3ccc(Cl)cc23)cc1)Nc1c(N2[C@H](C)CC[C@@H]2C)c(=O)c1=O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 8/20 0.35
ITGA4 P13612 8/20 0.35
PTGS2 P35354 1/20 0.35
P2RX3 P56373 11/20 0.34

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
SCHEMBL7716460 1.00 ITGB1 (0.35) ITGB1ITGA4PTGS2P2RX3
SCHEMBL7710712 0.92 ITGB1 (0.42) ITGB1ITGA4
SCHEMBL7710717 0.92 ITGB1 (0.42) ITGB1ITGA4
SCHEMBL7710720 0.92 ITGB1 (0.42) ITGB1ITGA4
SCHEMBL7718435 0.92 MAPT (0.34) ITGB1ITGA4PTGS2P2RX3
SCHEMBL7718440 0.92 MAPT (0.34) ITGB1ITGA4PTGS2P2RX3
SCHEMBL7710707 0.85 ITGB1 (0.39) ITGB1ITGA4
SCHEMBL7716466 0.85 ITGB1 (0.39) ITGB1ITGA4
SCHEMBL7716463 0.85 ITGB1 (0.39) ITGB1ITGA4
SCHEMBL7716153 0.85 ELANE (0.40) 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