SCHEMBL8530905

SCHEMBL8530905

CCCCC(CC)COC(=O)CC(Sc1nncs1)C(=O)OCC(CC)CCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.47
TSHR P16473 5/20 0.45
CYP3A4 P08684 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
ATM Q13315 1/20 0.45
ALDH1A1 P00352 7/20 0.41
CA2 P00918 1/20 0.41
MAPK1 P28482 3/20 0.39
LMNA P02545 3/20 0.38
HSD17B10 Q99714 1/20 0.38
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
PKM P14618 1/20 0.35
CTSK P43235 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
GLA P06280 1/20 0.31
HTT P42858 1/20 0.31
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL9875025 0.85 RECQL (0.52) RECQLTSHRCYP3A4TDP1ATM
SCHEMBL19529573 0.84 RECQL (0.50) RECQLTSHRCYP3A4TDP1ATM
SCHEMBL7714717 0.81 RECQL (0.47) RECQLTSHRCYP3A4TDP1ATM
SCHEMBL9572384 0.77 RECQL (0.38) RECQLTSHRCYP3A4TDP1ATM
SCHEMBL19160284 0.75 RECQL (0.62) RECQLTSHRCYP3A4TDP1ATM
SCHEMBL20343786 0.73 RECQL (0.59) RECQLTSHRCYP3A4TDP1ATM
SCHEMBL260766 0.71 RECQL (0.56) RECQLTSHRCYP3A4TDP1ATM
SCHEMBL28246238 0.70 CYP3A4 (0.74) RECQLTSHRCYP3A4TDP1ATM
SCHEMBL13453089 0.70 RECQL (0.55) RECQLTSHRCYP3A4TDP1ATM
SCHEMBL13741975 0.70 RECQL (0.55) RECQLTSHRCYP3A4TDP1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0574655-B1 Lubricating compositions containing aromatic amine derivatives of 2,5-dimercapto-1,3,4-thiadiazoles VANDERBILT CO R T (US) 1998-04-08 EP disclosed
EP-0601266-B1 Aromatic amine derivatives of 2,5-dimercapto-1,3,4-thiadiazoles VANDERBILT CO R T (US) 1996-06-26 EP disclosed
US-5391756-A Antiwear and antioxidant oil additives for lubricants R. T. VANDERBILT COMPANY, INC. (US) 1995-02-21 US disclosed
EP-0601266-A1 Aromatic amine derivatives of 2,5-dimercapto-1,3,4-thiadiazoles R.T. VANDERBILT COMPANY, Inc. (US) 1994-06-15 EP disclosed
EP-0574655-A1 Lubricating compositions containing aromatic amine derivatives of 2,5-dimercapto-1,3,4-thiadiazoles R.T. VANDERBILT COMPANY, Inc. (US) 1993-12-22 EP disclosed