SCHEMBL9875737

SCHEMBL9875737

CCCCCCOC(=O)CC(Sc1nnc(SC(CC(=O)OCCCCCC)C(=O)OCCCCCC)s1)C(=O)OCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.44
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.39
RAD52 P43351 1/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA3 P07451 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA5A P35218 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA13 Q8N1Q1 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA5B Q9Y2D0 2/20 0.38
FAAH O00519 1/20 0.38

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
SCHEMBL9875718 0.95 RAB9A (0.41) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL9639106 0.92 NAAA (0.39) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL9639601 0.92 NAAA (0.39) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL9639099 0.82 ALDH1A1 (0.51) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL9874906 0.81 MAPT (0.34) NPSR1MAPTMAPK1L3MBTL1RAD52
SCHEMBL9639155 0.81 NAAA (0.38) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL19529573 0.78 RECQL (0.50) MAPK1L3MBTL1ALDH1A1CA2FAAH
SCHEMBL16411258 0.76 ALDH1A1 (0.55) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL10809555 0.75 NAAA (0.51) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL10809940 0.75 NAAA (0.51) NAAANPSR1MAPTMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4880437-A WEAR RESISTANCE, DIESEL FUELS R. T. VANDERBILT COMPANY, INC. (US) 1989-11-14 US claimed
US-5055584-A Antiwear agents, antioxidants R. T. VANDERBILT COMPANY, INC. 1991-10-08 US disclosed
EP-0289964-A1 Maleic acid derivatives of 2,5-dimercapto-1,3,4-thiadiazoles and lubricating compositions containing same R.T. VANDERBILT COMPANY, INC. (US) 1988-11-09 EP disclosed