SCHEMBL8828019

SCHEMBL8828019

C=CC(N)SN1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.41
MAPT P10636 1/20 0.31
FAAH O00519 1/20 0.30
PHGDH O43175 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ALDH2 P05091 1/20 0.30
PDK1 Q15118 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK3 Q15120 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
SCHEMBL22563746 0.70 MGLL (0.50) MGLLFAAHPHGDHALDH1A1ALDH2
SCHEMBL175469 0.67 ANPEP (0.31)
SCHEMBL28236807 0.66 MGLL (0.50) MGLLMAPTFAAHPHGDHALDH1A1
SCHEMBL21088000 0.66 MGLL (0.50) MGLLFAAHPHGDHALDH1A1ALDH2
SCHEMBL15024968 0.66
SCHEMBL8506975 0.61
SCHEMBL11224485 0.61
SCHEMBL4059942 0.60 MGLL (0.65) MGLLMAPTFAAHPHGDHALDH1A1
Dithiodimorpholine SCHEMBL137538 0.60 MGLL (1.00) MGLLMAPTFAAHPHGDHALDH1A1
SCHEMBL11761722 0.60 ALDH1A1 (0.30) MAPTALDH1A1

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
EP-3114195-A2 EMULSIFIER COMPONENTS AND METHODS OF USING THE SAME The Lubrizol Corporation (US) 2017-01-11 EP disclosed
WO-2015134129-A2 EMULSIFIER COMPONENTS AND METHODS OF USING THE SAME THE LUBRIZOL CORPORATION (US) 2015-09-11 WO disclosed
US-5620948-A MIXTURE OF A MANNICH DISPERSANT, BORON COMPOUND, ORGANOPHOSPHORUS COMPOUND AND A THIOCARBAMATE; AUTOMATICTRANSMISSION FLUIDS THE LUBRIZOL CORPORATION (US) 1997-04-15 US disclosed
US-5569644-A TRANSMISSION FLUIDS, DISPERSANTS, ACYLATED, A POLYAMINE ACYLATED WITH A CARBOXYLATED POLYOLEFIN, BORON COMPOUND, PHOSPHOROUS ACID THE LUBRIZOL CORPORATION (US) 1996-10-29 US disclosed
EP-0367775-A1 NITROGEN CONTAINING ANTI-OXIDANT COMPOSITIONS The Lubrizol Corporation (US) 1990-05-16 EP disclosed
WO-1988009787-A1 NITROGEN CONTAINING ANTI-OXIDANT COMPOSITIONS THE LUBRIZOL CORPORATION (US) 1988-12-15 WO disclosed