SCHEMBL27775147

SCHEMBL27775147

Cc1cc(C)c(C(=O)NC2(C(=O)O)Cc3ccccc3C2)c(Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
CXCR5 P32302 17/20 0.49
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
PYGL P06737 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL3309992 0.85 CXCR5 (0.44) SMN1; SMN2CXCR5ALDH1A1MAPK1
SCHEMBL3301352 0.81 CXCR5 (0.48) CXCR5PYGLCYP2C9
SCHEMBL3307276 0.79 CXCR5 (0.57) CXCR5
SCHEMBL3308436 0.72 PYGL (0.59) CXCR5PYGLCYP2C9
SCHEMBL27775130 0.71 CXCR5 (0.59) SMN1; SMN2CXCR5
SCHEMBL1560542 0.71 CXCR5 (0.61) CXCR5
SCHEMBL3308745 0.70 CXCR5 (0.70) CXCR5
SCHEMBL28785337 0.69 CXCR5 (0.72) CXCR5
SCHEMBL3311239 0.68 CXCR5 (0.77) CXCR5
SCHEMBL3304823 0.68 CXCR5 (0.56) CXCR5PYGLCYP2C9

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
CN-101679346-A substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI AVENTIS 2010-03-24 CN disclosed