SCHEMBL7575682

SCHEMBL7575682

CC(C)C(=O)O.CC(C)C(=O)O.CCCCC(CC)CN(CCN)CC(CC)CCCC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
CA2 P00918 5/20 0.40
MAPK1 P28482 1/20 0.40
CYP3A4 P08684 5/20 0.37
TSHR P16473 3/20 0.37
ATM Q13315 1/20 0.36
CA1 P00915 1/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
GABRR1 P24046 2/20 0.34
SLC15A1 P46059 1/20 0.34
ACE2 Q9BYF1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4909269 0.87 ALDH1A1 (0.54) ALDH1A1TDP1CA2MAPK1CYP3A4
SCHEMBL5574833 0.79 ALDH1A1 (0.52) ALDH1A1TDP1CA2CYP3A4TSHR
SCHEMBL28180396 0.76 ALDH1A1 (0.48) ALDH1A1TDP1CYP3A4TSHRL3MBTL1
SCHEMBL1397305 0.75 ALDH1A1 (0.52) ALDH1A1TDP1CA2CYP3A4TSHR
SCHEMBL2324996 0.74 CA2 (0.47) ALDH1A1TDP1CA2MAPK1CYP3A4
SCHEMBL27892763 0.74 ALDH1A1 (0.47) ALDH1A1TDP1CA2MAPK1CYP3A4
2-Ethylhexanoic Acid SCHEMBL868709 0.74 CA2 (0.69) ALDH1A1TDP1CA2MAPK1CYP3A4
SCHEMBL4366899 0.74 ALDH1A1 (0.52) ALDH1A1TDP1CA2CYP3A4TSHR
SCHEMBL4371967 0.74 ALDH1A1 (0.52) ALDH1A1TDP1CA2CYP3A4TSHR
SCHEMBL11418139 0.74 CA2 (0.46) ALDH1A1TDP1CA2MAPK1CYP3A4

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