SCHEMBL3633744

SCHEMBL3633744

CCCCCCc1c(C)cccc1C(=O)NC1(C(=O)O)Cc2ccccc2C1

nearest known ligand 0.98

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 20/20 0.98

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
SCHEMBL3308944 0.99 CXCR5 (1.00) CXCR5
SCHEMBL3307696 0.92 CXCR5 (1.00) CXCR5
SCHEMBL13981628 0.89 CXCR5 (0.81) CXCR5
SCHEMBL3309665 0.87 CXCR5 (0.78) CXCR5
SCHEMBL3308152 0.87 CXCR5 (0.78) CXCR5
SCHEMBL3304521 0.83 CXCR5 (1.00) CXCR5
SCHEMBL3309210 0.82 CXCR5 (1.00) CXCR5
SCHEMBL3310806 0.82 CXCR5 (1.00) CXCR5
SCHEMBL3632515 0.82 CXCR5 (0.74) CXCR5
SCHEMBL13328380 0.82 CXCR5 (1.00) 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 5 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
WO-2021202553-A1 CXCR5 ANTAGONISTS AND METHODS OF TREATING DISEASES OR DISORDERS USING SAME YALE UNIVERSITY (US) 2021-10-07 WO disclosed
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