SCHEMBL9875718

SCHEMBL9875718

CCCCOC(=O)CC(Sc1nnc(SC(CC(=O)OCCCC)C(=O)OCCCC)s1)C(=O)OCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 6/20 0.41
NPSR1 Q6W5P4 3/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NAAA Q02083 1/20 0.36
HPGD P15428 3/20 0.35
GAA P10253 1/20 0.35
POLB P06746 1/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NCOA3 Q9Y6Q9 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
SCHEMBL9875737 0.95 NAAA (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL9639601 0.86 NAAA (0.39) RAB9ANPC1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL9639106 0.86 NAAA (0.39) RAB9ANPC1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL9516190 0.80 LMNA (0.32) ALDH1A1LMNA
SCHEMBL10726179 0.79 ALDH1A1 (0.52) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL19529573 0.78 RECQL (0.50) ALDH1A1MAPK1L3MBTL1LMNATSHR
SCHEMBL9639099 0.77 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1NPSR1MAPTMAPK1
SCHEMBL11547557 0.77 NPSR1 (0.48) ALDH1A1NPSR1MAPTMAPK1L3MBTL1
SCHEMBL9874906 0.77 MAPT (0.34) NPSR1MAPTMAPK1L3MBTL1LMNA
SCHEMBL9639155 0.75 NAAA (0.38) SMN1; SMN2ALDH1A1NPSR1MAPTMAPK1

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
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