SCHEMBL7575686

SCHEMBL7575686

CC(C)C(=O)O.CC(C)C(=O)O.CCCCCCNCCN(CC)CC

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.51
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
S1PR2 O95136 5/20 0.41
S1PR4 O95977 5/20 0.41
S1PR1 P21453 5/20 0.41
S1PR3 Q99500 5/20 0.41
S1PR5 Q9H228 1/20 0.41
EPHX1 P07099 6/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
ANPEP P15144 1/20 0.37
ERAP2 Q6P179 1/20 0.37
GPR84 Q9NQS5 1/20 0.37

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
Acetic Acid SCHEMBL3205791 0.88 PAOX (0.60) PAOXALDH1A1TSHRS1PR2S1PR4
SCHEMBL25634930 0.84 TSHR (0.59) PAOXALDH1A1TSHRS1PR2S1PR4
SCHEMBL10964171 0.84 TSHR (0.59) PAOXALDH1A1TSHRS1PR2S1PR4
SCHEMBL27414590 0.84 TSHR (0.59) PAOXALDH1A1TSHRS1PR2S1PR4
SCHEMBL8470713 0.84 TSHR (0.59) PAOXALDH1A1TSHRS1PR2S1PR4
SCHEMBL9244555 0.84 TSHR (0.59) PAOXALDH1A1TSHRS1PR2S1PR4
SCHEMBL8470770 0.84 TSHR (0.59) PAOXALDH1A1TSHRS1PR2S1PR4
SCHEMBL29090473 0.84 TSHR (0.59) PAOXALDH1A1TSHRS1PR2S1PR4
SCHEMBL8473674 0.84 TSHR (0.59) PAOXALDH1A1TSHRS1PR2S1PR4
Fluoride SCHEMBL17359722 0.82 TSHR (0.56) PAOXALDH1A1TSHRS1PR2S1PR4

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-0835924-B1 Use of an additive for dispersing calcium sulfate in a lubricating oil for diesel engines KAO CORP (JP) 2002-09-11 EP disclosed
EP-0835924-A1 LUBRICATING OIL ADDITIVE AND LUBRICATING OIL COMPOSITION FOR DIESEL ENGINES Kao Corporation (JP) 1998-04-15 EP disclosed