SCHEMBL7602668

SCHEMBL7602668

CCCCCCCCCCSCCOCCSCCCCCCCCCC

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.45
THRB P10828 3/20 0.45
MAPT P10636 2/20 0.45
GMNN O75496 1/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
CYP2C9 P11712 1/20 0.45
BLM P54132 1/20 0.45
HSD17B10 Q99714 1/20 0.45
FAAH O00519 4/20 0.44
CES1 P23141 4/20 0.44
PLA2G6 O60733 1/20 0.44
CA2 P00918 1/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
PRKD3 O94806 2/20 0.40
PRKCG P05129 2/20 0.40
PRKCB P05771 2/20 0.40
PRKCA P17252 2/20 0.40

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
SCHEMBL5382481 1.00 CES2 (0.45) CES2THRBMAPTGMNNTP53
SCHEMBL29462497 1.00 CES2 (0.45) CES2THRBMAPTGMNNTP53
SCHEMBL11852318 0.98 THRB (0.46) CES2THRBMAPTGMNNTP53
SCHEMBL1194292 0.97 CES2 (0.41) CES2THRBMAPTGMNNTP53
SCHEMBL29462498 0.95 THRB (0.45) CES2THRBMAPTGMNNTP53
SCHEMBL6694682 0.90 HTT (0.54) CES2THRBMAPTCES1MEN1
SCHEMBL7637734 0.90 HTT (0.54) CES2THRBMAPTCES1MEN1
SCHEMBL9344095 0.90 THRB (0.48) CES2THRBMAPTGMNNTP53
SCHEMBL9292781 0.90 THRB (0.48) CES2THRBMAPTGMNNTP53
SCHEMBL9344102 0.90 THRB (0.48) CES2THRBMAPTGMNNTP53

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
CN-111051251-B Compositions and methods for inhibiting corrosion and scale NCH公司 2023-04-14 CN disclosed
CN-111286740-B Compositions and methods for inhibiting corrosion NCH公司 2022-08-16 CN disclosed
EP-0787791-B1 Functional fluid compositions having improved frictional and anti-oxidation properties LUBRIZOL CORP (US) 2002-12-18 EP disclosed
EP-0787791-A2 Functional fluid compositions having improved frictional and anti-oxidation properties The Lubrizol Corporation (US) 1997-08-06 EP disclosed
US-5561103-A CONTAINING SELF CONDENSATION PRODUCTS OF ALKYLTHIO ALKANOLS AND DISPERSANTS; LUBRICANTS THE LUBRIZOL CORPORATION (US) 1996-10-01 US disclosed