SCHEMBL7714717

SCHEMBL7714717

CCCCC(CC)COC(=O)CC(Sc1nnc(S)s1)C(=O)OCC(CC)CCCC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.47
CYP3A4 P08684 4/20 0.45
TSHR P16473 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
ATM Q13315 1/20 0.45
ALDH1A1 P00352 6/20 0.39
CA2 P00918 1/20 0.39
MAPK1 P28482 3/20 0.36
LMNA P02545 3/20 0.36
HSD17B10 Q99714 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.32

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 0.92 RECQL (0.52) RECQLCYP3A4TSHRTDP1ATM
SCHEMBL19529573 0.90 RECQL (0.50) RECQLCYP3A4TSHRTDP1ATM
SCHEMBL8530905 0.81 RECQL (0.47) RECQLCYP3A4TSHRTDP1ATM
SCHEMBL9639106 0.80 NAAA (0.39) CYP3A4ALDH1A1CA2MAPK1L3MBTL1
SCHEMBL9572384 0.77 RECQL (0.38) RECQLCYP3A4TSHRTDP1ATM
SCHEMBL19160284 0.75 RECQL (0.62) RECQLCYP3A4TSHRTDP1ATM
SCHEMBL15277980 0.73 CYP3A4 (0.55) RECQLCYP3A4TSHRTDP1ATM
SCHEMBL9875718 0.73 RAB9A (0.41) TSHRALDH1A1MAPK1LMNAHSD17B10
SCHEMBL20343786 0.73 RECQL (0.59) RECQLCYP3A4TSHRTDP1ATM
SCHEMBL260766 0.71 RECQL (0.56) RECQLCYP3A4TSHRTDP1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6017858-A WEAR RESISTANCE AND OXIDATION RESISTANCE R.T. VANDERBILT CO., INC. (US) 2000-01-25 US claimed
US-4880437-A WEAR RESISTANCE, DIESEL FUELS R. T. VANDERBILT COMPANY, INC. (US) 1989-11-14 US claimed
US-6369005-B1 COMPLEX FROM REACTING FATTY OIL, DIETHANOLAMINE AND A MOLYBDENUM SOURCE; A DITHIOCARBAMATE; SYNERGISTIC ANTIWEAR AND OXIDATION RESISTANCE R.T. VANDERBILT COMPANY, INC. 2002-04-09 US disclosed
US-6017858-A WEAR RESISTANCE AND OXIDATION RESISTANCE R.T. VANDERBILT CO., INC. (US) 2000-01-25 US disclosed
EP-0524452-A1 Phenolic derivatives of 2,5-dimercapto-1,3,4-thiadiazole and their use as lubricant additives R.T. VANDERBILT COMPANY, Inc. (US) 1993-01-27 EP disclosed
US-5177212-A Wear and oxidation resistant oil additives R.T. VANDERBILT COMPANY, INC. (US) 1993-01-05 US disclosed