SCHEMBL18924221

SCHEMBL18924221

CNCNC(=O)CNC(=O)C(CS)NC(=O)CCCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.50
▸ GSTK1 Q9Y2Q3 1/20 0.50
▸ FNTA P49354 2/20 0.36
▸ FNTB P49356 2/20 0.36
▸ PGGT1B P53609 1/20 0.36
▸ BMP1 P13497 1/20 0.35
▸ GLO1 Q04760 1/20 0.34
▸ FOLH1 Q04609 1/20 0.34
▸ ANPEP P15144 1/20 0.33
▸ ENPEP Q07075 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33

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
SCHEMBL18924223 0.89 PTGS1 (0.52) PTGS1GSTK1FNTAFNTBPGGT1B
SCHEMBL18383664 0.86 GSTK1 (0.65) PTGS1GSTK1FNTAFNTBPGGT1B
SCHEMBL24829528 0.86 GSTK1 (0.65) PTGS1GSTK1FNTAFNTBPGGT1B
SCHEMBL19774705 0.86 GSTK1 (0.65) PTGS1GSTK1FNTAFNTBPGGT1B
SCHEMBL26819626 0.83 PTGS1 (0.62) PTGS1GSTK1FNTAFNTBPGGT1B
SCHEMBL25861362 0.79 PTGS1 (0.48) PTGS1GSTK1FNTAFNTBPGGT1B
SCHEMBL26483467 0.79 PTGS1 (0.60) PTGS1GSTK1FNTAFNTBPGGT1B
SCHEMBL25861459 0.77 PTGS1 (0.58) PTGS1GSTK1FNTAFNTBPGGT1B
SCHEMBL22300031 0.76 PTGS1 (0.47) PTGS1GSTK1FNTAFNTBPGGT1B
SCHEMBL14781467 0.74 PTGS1 (0.66) PTGS1GSTK1FNTAFNTBPGGT1B

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
US-9669016-B2 Antiparasitic effect of Bis[3,5-Bis(Benzylidene)-4-Oxo-1-Piperidinyl]amide Derivatives THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-06-06 — — US disclosed
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