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Sugi Predict / Compounds / SCHEMBL14068488

SCHEMBL14068488

SCHEMBL14068488

COc1cc(C)c(Cl)cc1NC(=O)Cn1c(=O)n(CC(=O)NCC2CCCO2)c(=O)c2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.65
▸ SMN1; SMN2 Q16637 3/20 0.65
▸ S1PR2 O95136 9/20 0.64
▸ KDM4E B2RXH2 1/20 0.64
▸ HPGD P15428 1/20 0.64
▸ HSD17B10 Q99714 1/20 0.64
▸ POLB P06746 1/20 0.60
▸ RXFP1 Q9HBX9 1/20 0.59

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
SCHEMBL3308025 0.95 S1PR2 (0.72) ALDH1A1SMN1; SMN2S1PR2KDM4EHPGD
SCHEMBL13361515 0.89 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2S1PR2KDM4EHPGD
SCHEMBL14068483 0.86 S1PR2 (0.60) ALDH1A1SMN1; SMN2S1PR2
SCHEMBL14068491 0.85 S1PR2 (0.71) ALDH1A1SMN1; SMN2S1PR2
SCHEMBL14068356 0.85 S1PR2 (0.87) S1PR2
SCHEMBL14068349 0.85 S1PR2 (0.73) ALDH1A1SMN1; SMN2S1PR2
SCHEMBL14068487 0.85 S1PR2 (0.75) S1PR2
SCHEMBL14068348 0.85 S1PR2 (0.74) S1PR2RXFP1
SCHEMBL14068374 0.84 S1PR2 (0.66) ALDH1A1SMN1; SMN2S1PR2POLB
SCHEMBL14068485 0.83 S1PR2 (0.65) ALDH1A1SMN1; SMN2S1PR2POLB

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-2008107436-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2008-09-12 — — WO disclosed