SCHEMBL18177761

SCHEMBL18177761

CC1C(C)C2CC1C(CO)C2C(=O)OCC(O)CO

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.34
▸ DUSP3 P51452 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ DGKA P23743 1/20 0.33
▸ FAAH O00519 2/20 0.32
▸ ADRB2 P07550 1/20 0.31
▸ ADRB1 P08588 1/20 0.31
▸ ADRB3 P13945 1/20 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
SCHEMBL18177771 0.84 KDM4E (0.38) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL18177764 0.78 ADRB2 (0.38) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL18177772 0.77 KDM4E (0.32) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL18177788 0.74 TP53 (0.43) LMNA
SCHEMBL18177768 0.73 KDM4E (0.33) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL18177756 0.72 KDM4E (0.35) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL18177769 0.72 PPM1B (0.35) ADRB2ADRB1ADRB3
SCHEMBL13518249 0.72 TSHR (0.37) MEN1KMT2ALMNA
SCHEMBL13992868 0.71 KDM4E (0.32) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL13608922 0.69 TSHR (0.35) —

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-20160311970-A1 INSERTION POLYNORBORNENE-BASED THERMOSET RESINS CLAVERIE, Jérôme (CA) 2016-10-27 — — US disclosed
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