SCHEMBL11112005

SCHEMBL11112005

COC(=O)CC(C(=O)OC)C1C=C(C)C(C(=O)OC)C(C(=O)OC)C1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
TSHR P16473 2/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP2C9 P11712 2/20 0.30
CYP2C19 P33261 2/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 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
SCHEMBL10385210 0.74
SCHEMBL10385656 0.71 DNTT (0.35) POLB
SCHEMBL10385175 0.70 CYP2D6 (0.41) CYP3A4CYP2D6TSHRHSD17B10ALDH1A1
SCHEMBL10385205 0.68
SCHEMBL10386735 0.68 CYP2D6 (0.32) CYP2D6
SCHEMBL10385660 0.68 CYP2D6 (0.32) CYP2D6
SCHEMBL10384932 0.66 CYP2D6 (0.32) CYP2D6POLB
SCHEMBL10385652 0.63 CYP2D6 (0.40) CYP2D6TSHRALDH1A1
SCHEMBL10385214 0.62 KDM1A (0.32)
SCHEMBL29053704 0.59 SLC6A3 (0.38) CYP2D6TSHR

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
US-4477616-A STABILIZERS ADEKA ARGUS CHEMICAL CO., LTD. (JP) 1984-10-16 US disclosed