SCHEMBL8420023

SCHEMBL8420023

COCCOC(=O)c1cc(C#CC2C(O)C3CCN2CC3)ccc1OCCOC

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
JAK1 P23458 2/20 0.33
JAK3 P52333 2/20 0.33
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PDGFRB P09619 2/20 0.31
NPC1 O15118 1/20 0.31
KMT2A Q03164 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
SCHEMBL8421884 0.85 KDM4E (0.34) PDGFRB
SCHEMBL8422031 0.83 FDPS (0.33) PDGFRBKMT2A
SCHEMBL8421763 0.83 EGFR (0.34) KMT2A
SCHEMBL8417915 0.79 ACACB (0.37) KMT2A
SCHEMBL8919898 0.78 MYC (0.37) TSHRJAK1JAK3POLBMAPT
SCHEMBL8421925 0.73 FFAR1 (0.34) L3MBTL1KMT2A
SCHEMBL9431924 0.73 MMP13 (0.52)
SCHEMBL8919982 0.71 MMP13 (0.46) POLBNPC1
SCHEMBL8420487 0.70 TSHR (0.31) TSHR
SCHEMBL8969537 0.69 MMP13 (0.51)

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-5919793-A QUINUCLIDINE DERIVATIVES, SQUALENE SYNTHETASE INHIBITORS, ANTICHOLESTEROL AGENTS ZENECA LIMITED (GB) 1999-07-06 US disclosed