SCHEMBL7716513

SCHEMBL7716513

Cc1ccc(S(=O)(=O)N(C(=O)[C@H]2NC(C)(C)CS2)[C@@H](Cc2ccc(OC(=O)N(C)C)cc2)C(=O)O)cc1.Cc1ccc(S(=O)(=O)N(C(=O)[C@H]2NC(C)(C)CS2)[C@@H](Cc2ccc(OC(=O)N(C)C)cc2)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.32
PTGES O14684 1/20 0.32
MMP13 P45452 1/20 0.31
STAT3 P40763 1/20 0.30
STAT5B P51692 1/20 0.30

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
SCHEMBL3850225 0.97 P2RX7 (0.32) P2RX7PTGESMMP13STAT3STAT5B
SCHEMBL3851526 0.93 PTGES (0.36) P2RX7PTGES
SCHEMBL3855576 0.91 MMP13 (0.32) P2RX7MMP13
SCHEMBL3855318 0.91 P2RX7 (0.32) P2RX7MMP13
SCHEMBL3849839 0.89 P2RX7 (0.30) P2RX7
SCHEMBL3849629 0.89 P2RX7 (0.33) P2RX7
SCHEMBL5609494 0.89
SCHEMBL3855348 0.88 MMP2 (0.33) P2RX7PTGES
SCHEMBL3851221 0.86 TAS2R14 (0.34)
SCHEMBL3860129 0.86 ADAMTS5 (0.33)

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-6489300-B1 INHIBITORS OF ADHESION IN THE TREATMENT OF INFLAMMATORY BRAIN DISEASES AND OTHER INFLAMMATORY CONDITIONS ELAN PHARMACEUTICALS, INC. 2002-12-03 US disclosed