Trimethylammonium

Trimethylammonium

SCHEMBL8894582

CCCCC(CC)COP(O)(=S)OCC(CC)CCCC.CN(C)C

nearest known ligand 0.56

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Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
TSHR P16473 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 7/20 0.42
LMNA P02545 2/20 0.40
HSD17B10 Q99714 1/20 0.40
CA2 P00918 3/20 0.39
RECQL P46063 1/20 0.37
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP14 P50281 1/20 0.35
LPAR2 Q9HBW0 3/20 0.35
LPAR3 Q9UBY5 3/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL599571 0.95 CYP3A4 (0.61) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL4650272 0.93 CYP3A4 (0.59) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL9497372 0.93 CYP3A4 (0.59) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL6909734 0.84 CYP3A4 (0.61) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL11535453 0.83 CYP3A4 (0.53) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL27358148 0.82 CYP3A4 (0.59) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL7697644 0.82 CYP3A4 (0.46) CYP3A4L3MBTL1LMNALPAR2LPAR3
SCHEMBL4446173 0.81 CYP3A4 (0.58) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL1699004 0.81 CYP3A4 (0.58) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL8662311 0.81 CYP3A4 (0.46) CYP3A4L3MBTL1TSHRTDP1ATM

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
US-5641888-A Synthesis of an O,O' -diesters of thiophosphoric acid, an O-ester of thiophosphonic acid, or a thiophosphinic acid BAYER AKTIENGESELLSCHAFT (DE) 1997-06-24 US disclosed
EP-0723968-A2 Process for the preparation of thiophosphoric acid 0,0'-diesters and their salts as well as their preparation BAYER AG (DE) 1996-07-31 EP disclosed