SCHEMBL18924223

SCHEMBL18924223

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.52
▸ GSTK1 Q9Y2Q3 1/20 0.52
▸ BMP1 P13497 1/20 0.39
▸ FNTA P49354 2/20 0.37
▸ FNTB P49356 2/20 0.37
▸ PGGT1B P53609 1/20 0.37
▸ GLO1 Q04760 1/20 0.36
▸ FOLH1 Q04609 1/20 0.36
▸ ANPEP P15144 1/20 0.35
▸ ENPEP Q07075 1/20 0.35
▸ ACE P12821 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ PTGS2 P35354 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ GNPAT O15228 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ ALOX15 P16050 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
SCHEMBL18924221 0.89 PTGS1 (0.50) PTGS1GSTK1BMP1FNTAFNTB
SCHEMBL19774705 0.88 GSTK1 (0.65) PTGS1GSTK1FNTAFNTBPGGT1B
SCHEMBL24829528 0.88 GSTK1 (0.65) PTGS1GSTK1FNTAFNTBPGGT1B
SCHEMBL18383664 0.88 GSTK1 (0.65) PTGS1GSTK1FNTAFNTBPGGT1B
SCHEMBL22300031 0.87 PTGS1 (0.47) PTGS1GSTK1FNTAFNTBPGGT1B
SCHEMBL26819626 0.82 PTGS1 (0.62) PTGS1GSTK1FNTAFNTBPGGT1B
SCHEMBL25861362 0.81 PTGS1 (0.48) PTGS1GSTK1FNTAFNTBPGGT1B
SCHEMBL26483467 0.81 PTGS1 (0.60) PTGS1GSTK1FNTAFNTBPGGT1B
SCHEMBL21153272 0.80 PTGS1 (0.44) PTGS1GSTK1BMP1ACEMAPT
SCHEMBL15700548 0.80 PTGS1 (0.78) 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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