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Sugi Predict / Compounds / SCHEMBL3633699

SCHEMBL3633699

SCHEMBL3633699

Cc1cccc(C(=O)NC2(C(=O)O)Cc3ccc(Br)cc3C2)c1OC1CCC1.Cc1cccc(C(=O)NC2(C(=O)O)Cc3ccc(F)cc3C2)c1OC1CCC1

nearest known ligand 0.90

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CXCR5 P32302 20/20 0.90

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
SCHEMBL3305341 0.95 CXCR5 (1.00) CXCR5
SCHEMBL3313989 0.95 CXCR5 (0.81) CXCR5
SCHEMBL13328611 0.89 CXCR5 (0.72) CXCR5
SCHEMBL3307847 0.86 CXCR5 (0.84) CXCR5
SCHEMBL3306514 0.85 CXCR5 (1.00) CXCR5
SCHEMBL3307937 0.84 CXCR5 (0.80) CXCR5
SCHEMBL3305017 0.84 CXCR5 (0.65) CXCR5
SCHEMBL3307753 0.84 CXCR5 (0.86) CXCR5
SCHEMBL3308658 0.84 CXCR5 (0.81) CXCR5
SCHEMBL3310141 0.84 CXCR5 (0.81) CXCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155711-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS Sanofi-Aventis (FR) 2010-02-24 — — EP claimed
WO-2008151211-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2008-12-11 — — WO claimed
EP-2155711-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS Sanofi-Aventis (FR) 2010-02-24 — — EP disclosed
WO-2008151211-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2008-12-11 — — WO disclosed