SCHEMBL8307524

SCHEMBL8307524

CSCCC(NC(=O)CNCc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FNTA P49354 9/20 0.58
FNTB P49356 9/20 0.58
LTA4H P09960 1/20 0.56
ANPEP P15144 1/20 0.54
PGGT1B P53609 3/20 0.53
NPSR1 Q6W5P4 2/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL8307525 1.00 FNTA (0.58) FNTAFNTBLTA4HANPEPPGGT1B
SCHEMBL8306507 0.89 OPRK1 (0.58) FNTAFNTBANPEP
SCHEMBL8306505 0.89 OPRK1 (0.58) FNTAFNTBANPEP
SCHEMBL8792533 0.86 MEN1 (0.52) FNTAFNTBPGGT1BALDH1A1
SCHEMBL8792528 0.86 MEN1 (0.52) FNTAFNTBPGGT1BALDH1A1
SCHEMBL8159392 0.85 FNTA (0.53) FNTAFNTBLTA4HNPSR1ALDH1A1
SCHEMBL8159389 0.85 FNTA (0.53) FNTAFNTBLTA4HNPSR1ALDH1A1
SCHEMBL2331099 0.83 FNTA (0.61) FNTAFNTBLTA4HANPEPPGGT1B
SCHEMBL2331097 0.83 FNTA (0.61) FNTAFNTBLTA4HANPEPPGGT1B
SCHEMBL27639931 0.83 LTA4H (0.55) FNTAFNTBLTA4HANPEPPGGT1B

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
EP-0952842-A2 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 1999-11-03 EP claimed
WO-1997038664-A2 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1997-10-23 WO claimed