SCHEMBL30856549

SCHEMBL30856549

Cc1cc(C)c(S(=O)(=O)N[C@@H](CNC(=O)c2ccc3c(cnn3CCCNc3ncc[nH]3)c2)C(=O)O)c(C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 1.00
ITGAV P06756 20/20 1.00
ITGA2B P08514 19/20 1.00

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
SCHEMBL7969198 1.00 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL4194099 1.00 ITGB3 (1.00) ITGB3ITGAVITGA2B
Trifluoroacetic Acid SCHEMBL3743186 0.96 ITGB3 (0.92) ITGB3ITGAVITGA2B
Trifluoroacetic Acid SCHEMBL3743175 0.96 ITGB3 (0.92) ITGB3ITGAVITGA2B
SCHEMBL7969271 0.94 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7982808 0.94 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL14289059 0.92 ITGB3 (0.84) ITGB3ITGAVITGA2B
SCHEMBL14289052 0.92 ITGB3 (0.84) ITGB3ITGAVITGA2B
SCHEMBL14450438 0.91 ITGB3 (1.00) ITGB3ITGAVITGA2B
Trifluoroacetic Acid SCHEMBL7980483 0.90 ITGB3 (0.93) ITGB3ITGAVITGA2B

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
WO-2024024915-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR PERIOSTIN-MEDIATED DISEASE AND PRURITUS ASSOCIATED THEREWITH 国立大学法人佐賀大学 2024-02-01 WO disclosed