SCHEMBL9874906

SCHEMBL9874906

CCCCCCOC(=O)CC(Sc1nnc(SC2(C)CCC3CC2C3(C)C)s1)C(=O)OCCCCCC

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
NPSR1 Q6W5P4 3/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 2/20 0.34
MAPK1 P28482 2/20 0.34
PLA2G1B P04054 1/20 0.34
RAD52 P43351 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL9516190 0.96 LMNA (0.32) LMNAHTT
SCHEMBL9875737 0.81 NAAA (0.44) MAPTNPSR1MAPK1RAD52L3MBTL1
SCHEMBL9875718 0.77 RAB9A (0.41) MAPTNPSR1LMNAMAPK1L3MBTL1
SCHEMBL9639106 0.74 NAAA (0.39) MAPTNPSR1MAPK1RAD52MEN1
SCHEMBL9639601 0.74 NAAA (0.39) MAPTNPSR1MAPK1RAD52MEN1
SCHEMBL9639099 0.67 ALDH1A1 (0.51) MAPTNPSR1HTTMAPK1KDM4E
SCHEMBL9639155 0.65 NAAA (0.38) MAPTNPSR1LMNAMAPK1RAD52
SCHEMBL16411258 0.62 ALDH1A1 (0.55) MAPTNPSR1MAPK1RAD52KDM4E
SCHEMBL12611017 0.60 NAAA (0.51) MAPTNPSR1MAPK1RAD52L3MBTL1
SCHEMBL10809555 0.60 NAAA (0.51) MAPTNPSR1MAPK1RAD52L3MBTL1

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