SCHEMBL11705162

SCHEMBL11705162

CCOC(=O)CCC(=O)c1ccc(OC)c(OC)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 3/20 0.70
WNT3A P56704 3/20 0.70
TSHR P16473 3/20 0.57
MAPT P10636 2/20 0.57
PAX8 Q06710 1/20 0.54
MAPK1 P28482 1/20 0.54
ALDH1A1 P00352 4/20 0.53
CYP2C19 P33261 2/20 0.53
POLB P06746 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
HRH3 Q9Y5N1 2/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA4 P22748 1/20 0.51

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
SCHEMBL8795459 0.91 CTNNB1 (0.62) CTNNB1WNT3ATSHRMAPTPAX8
SCHEMBL6085421 0.90 CTNNB1 (0.56) CTNNB1WNT3ATSHRMAPTALDH1A1
SCHEMBL10455919 0.87 CTNNB1 (0.83) CTNNB1WNT3ATSHRMAPTPAX8
SCHEMBL31314527 0.86 MEN1 (0.70) CTNNB1WNT3ATSHRMAPTMAPK1
SCHEMBL2848397 0.86 MEN1 (0.70) CTNNB1WNT3ATSHRMAPTMAPK1
SCHEMBL4266164 0.85 MEN1 (0.57) CTNNB1WNT3ATSHRMAPK1ALDH1A1
SCHEMBL2088969 0.84 CTNNB1 (0.54) CTNNB1WNT3ATSHRMAPTMAPK1
SCHEMBL15988664 0.83 CTNNB1 (0.67) CTNNB1WNT3ATSHRMAPTMAPK1
SCHEMBL15988936 0.83 TSHR (0.73) CTNNB1WNT3ATSHRMAPTMAPK1
SCHEMBL15969047 0.83 CTNNB1 (1.00) CTNNB1WNT3ATSHRMAPTPAX8

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-4011321-A 6-(3-SUBSTITUTED AMINO-2-HYDROXYPROPOXYARYL)-4,5-DIHYDRO-3(2H)-PYRIDAZINONES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-03-08 US disclosed