SCHEMBL18754349

SCHEMBL18754349

CCC(C)(C)C(CC(C)(C)C)C(=O)OCC1CO1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TP53 P04637 3/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 3/20 0.35
MAPK1 P28482 1/20 0.35
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARG P37231 1/20 0.33
HIF1A Q16665 1/20 0.33
VDR P11473 1/20 0.32
MGLL Q99685 2/20 0.31

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
SCHEMBL14976918 0.88 ALDH1A1 (0.44) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL19827219 0.86 ALDH1A1 (0.45) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL13941998 0.78 ALDH1A1 (0.46) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL10316700 0.78 ALDH1A1 (0.46) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL12524316 0.77 MMP8 (0.36) ALDH1A1CYP3A4TSHRMEN1KMT2A
SCHEMBL24630770 0.76 ALDH1A1 (0.45) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL18754364 0.75 ALDH1A1 (0.41) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL7049139 0.73
SCHEMBL2760523 0.73 CA1 (0.37)
SCHEMBL16687820 0.73 ALDH1A1 (0.55) ALDH1A1TP53CYP3A4TSHRMAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2251371-B1 Biaxially stretched polyester film containing a decarboxylation catalyst and method for production of same and use of same in electrical insulation applications MITSUBISHI POLYESTER FILM GMBH (DE) 2017-04-19 EP disclosed