SCHEMBL8912207

SCHEMBL8912207

CCOC(=O)CN1C2COCC1CC(C(=O)OCC)C2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 2/20 0.37
POLB P06746 2/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 6/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34

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
Ethyl Bromo Acetate SCHEMBL30028633 0.93 ALDH1A1 (0.44) MEN1KMT2AMAPTPOLBLMNA
SCHEMBL30028689 0.86 MEN1 (0.43) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL5114769 0.85 MEN1 (0.40) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL8912197 0.84 KMT2A (0.45) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL5121809 0.81 GSK3A (0.40) MEN1KMT2AMAPTPOLBALDH1A1
Ethyl Bromo Acetate SCHEMBL30029142 0.80 ALDH1A1 (0.47) MEN1KMT2AMAPTPOLBALDH1A1
Ethyl Bromo Acetate SCHEMBL30029347 0.78 ALDH1A1 (0.45) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL14014876 0.77 MEN1 (0.33) MEN1KMT2AMAPTTSHRALDH1A1
SCHEMBL5653075 0.76 ALDH1A1 (0.39) MEN1KMT2APOLBLMNAALDH1A1
SCHEMBL8914329 0.76 ALDH1A1 (0.47) MEN1KMT2APOLBALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022175402-A1 QUINUCLIDINE-3-ONE DERIVATIVES APREA THERAPEUTICS AB (SE) 2022-08-25 WO disclosed
US-5641786-A Quinuclidine derivatives LOWE III JOHN ADAMS (US) 1997-06-24 US disclosed
US-5422354-A Quinuclidine derivatives PFIZER INC (US) 1995-06-06 US disclosed
EP-0540526-B1 QUINUCLIDINE DERIVATIVES PFIZER (US) 1994-12-28 EP disclosed
EP-0540526-A1 QUINUCLIDINE DERIVATIVES. PFIZER (US) 1993-05-12 EP disclosed
WO-1992001688-A1 QUINUCLIDINE DERIVATIVES PFIZER INC. (US) 1992-02-06 WO disclosed