SCHEMBL16767652

SCHEMBL16767652

NC(=O)c1ccc(C=O)c(S(=O)(=O)O)c1N1C(=O)CCC1=O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL4432972 0.70 ALDH1A1 (0.40) CA12CA1CA2CA9
SCHEMBL896338 0.69 CA12 (0.36) ERN1CA12CA1CA9
SCHEMBL15539811 0.67 KMT2A (0.37) ERN1CA12CA1CA9
SCHEMBL6249309 0.63 KDM4E (0.33) CA12CA1CA9
SCHEMBL2742231 0.61 CA1 (0.33) CA12CA1CA2CA9
SCHEMBL3211065 0.60 NPC1 (0.54) CA12CA1CA9
SCHEMBL6578197 0.59 CA12 (0.36) CA12CA1CA9
SCHEMBL5279180 0.59 ERN1 (0.41) ERN1
SCHEMBL28291812 0.59 CA12 (0.39) ERN1CA12CA1CA2CA9
SCHEMBL30723106 0.58 ALDH1A1 (0.45) CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015179743-A1 LIBRARY AND SCREENING APPROACH FOR IMPROVED CELL PENETRATING PEPTIDES GENZYME CORPORATION (US) 2015-11-26 WO disclosed
US-20150160206-A1 MICROFLUIDIC DEVICE AND APPARATUS FOR TESTING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-06-11 US disclosed