SCHEMBL9639601

SCHEMBL9639601

CCCCCCCCCCCCCOC(=O)CC(Sc1nnc(S)s1)C(=O)OCCCCCCCCCCCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.39
NPSR1 Q6W5P4 2/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA3 P07451 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
CA5A P35218 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA13 Q8N1Q1 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA5B Q9Y2D0 2/20 0.35
RAD52 P43351 1/20 0.35
FAAH O00519 1/20 0.35
HTR2C P28335 1/20 0.34

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
SCHEMBL9639106 1.00 NAAA (0.39) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL9875737 0.92 NAAA (0.44) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL9875718 0.86 RAB9A (0.41) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL9639155 0.81 NAAA (0.38) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL7714717 0.80 RECQL (0.47) MAPK1L3MBTL1CA2ALDH1A1CYP3A4
SCHEMBL9639099 0.77 ALDH1A1 (0.51) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL9874906 0.74 MAPT (0.34) NPSR1MAPTMAPK1L3MBTL1RAD52
SCHEMBL9639077 0.73 NAAA (0.38) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL18530876 0.72 ALDH1A1 (0.47) MAPTMAPK1CA12CA1CA2
SCHEMBL9713508 0.71 ALDH1A1 (0.42) MAPTMAPK1L3MBTL1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5102568-A Antioxidants, corrosion resistance and wear resistance ATOCHEM NORTH AMERICA, INC. (US) 1992-04-07 US claimed
EP-0242395-A1 THIADIAZOLE COMPOUNDS AND LUBRICANT ADDITIVES THEREOF PENNWALT CORPORATION (US) 1987-10-28 EP claimed
WO-1987002358-A1 THIADIAZOLE COMPOUNDS AND LUBRICANT ADDITIVES THEREOF PENNWALT CORPORATION (US) 1987-04-23 WO claimed
EP-0218816-A1 Thiadiazole compounds and lubricant additives thereof PENNWALT CORPORATION (US) 1987-04-22 EP claimed
US-5102568-A Antioxidants, corrosion resistance and wear resistance ATOCHEM NORTH AMERICA, INC. (US) 1992-04-07 US disclosed
EP-0218816-B1 THIADIAZOLE COMPOUNDS AND LUBRICANT ADDITIVES THEREOF PENNWALT CORPORATION (US) 1990-09-26 EP disclosed
EP-0242395-A1 THIADIAZOLE COMPOUNDS AND LUBRICANT ADDITIVES THEREOF PENNWALT CORPORATION (US) 1987-10-28 EP disclosed
WO-1987002358-A1 THIADIAZOLE COMPOUNDS AND LUBRICANT ADDITIVES THEREOF PENNWALT CORPORATION (US) 1987-04-23 WO disclosed
EP-0218816-A1 Thiadiazole compounds and lubricant additives thereof PENNWALT CORPORATION (US) 1987-04-22 EP disclosed