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Sugi Predict / Compounds / SCHEMBL7579993

SCHEMBL7579993

SCHEMBL7579993

Cc1ccc(S(=O)(=O)N(C(=O)C2NCC(=O)SC2=O)[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 2)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 3/20 0.32
▸ PTGES O14684 1/20 0.31

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
SCHEMBL4563644 0.90 PTGES (0.35) P2RX7PTGES
SCHEMBL4564688 0.90 BMP1 (0.30) —
SCHEMBL5609005 0.89 P2RX7 (0.32) P2RX7PTGES
SCHEMBL4563287 0.89 RORC (0.32) —
SCHEMBL4563523 0.88 — —
SCHEMBL4564375 0.87 CYP1A2 (0.41) P2RX7
SCHEMBL8059939 0.86 — —
SCHEMBL3850821 0.85 P2RX7 (0.34) P2RX7PTGES
SCHEMBL3850724 0.82 P2RX7 (0.33) P2RX7PTGES
SCHEMBL6038413 0.82 P2RX7 (0.32) P2RX7PTGES

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0954519-A1 ALPHA-9 INTEGRIN ANTAGONISTS AND ANTI-INFLAMMATORY COMPOSITIONS THEROF ATHENA NEUROSCIENCES, INC. (US) 1999-11-10 — — EP disclosed
WO-1999006391-A1 ALPHA-9 INTEGRIN ANTAGONISTS AND ANTI-INFLAMMATORY COMPOSITIONS THEROF ATHENA NEUROSCIENCES, INC. (US) 1999-02-11 — — WO disclosed