SCHEMBL7063306

SCHEMBL7063306

CCCCCCCCCCCCSC(C)OC(=O)/C=C\C(=O)OC(C)SCCCCCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
MAPT P10636 2/20 0.42
GMNN O75496 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
CYP2C9 P11712 1/20 0.42
BLM P54132 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HCAR2 Q8TDS4 4/20 0.41
LMNA P02545 2/20 0.41
ATM Q13315 1/20 0.40
CES2 O00748 1/20 0.38
MAPK1 P28482 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
FAAH O00519 2/20 0.34
CES1 P23141 2/20 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
SCHEMBL7063313 1.00 EPHX1 (0.50) EPHX1MAPTGMNNTP53POLB
SCHEMBL6408698 0.87 EPHX1 (0.47) EPHX1MAPTGMNNTP53POLB
SCHEMBL8424510 0.84 EPHX1 (0.55) EPHX1MAPTGMNNTP53POLB
SCHEMBL8426321 0.82 EPHX1 (0.53) EPHX1MAPTGMNNTP53POLB
SCHEMBL8893585 0.81 EPHX1 (0.40) EPHX1HCAR2LMNAATMCES1
SCHEMBL10624263 0.81 EPHX1 (0.51) EPHX1MAPTGMNNTP53POLB
SCHEMBL2430213 0.79 TSHR (0.46) EPHX1MAPTTHRBLMNAATM
SCHEMBL10763267 0.79 EPHX1 (0.58) EPHX1MAPTGMNNTP53POLB
SCHEMBL7646476 0.77 TSHR (0.49) EPHX1MAPTGMNNTP53POLB
SCHEMBL10426941 0.77 TSHR (0.42) EPHX1TP53HSD17B10

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
EP-0593263-B1 Lubricants, greases, aqueous fluids and concentrates containing additives derived from dimercaptothiadiazoles LUBRIZOL CORP (US) 2003-05-28 EP disclosed
EP-0593263-A1 Lubricants, greases, aqueous fluids and concentrates containing additives derived from dimercaptothiadiazoles The Lubrizol Corporation (US) 1994-04-20 EP disclosed