SCHEMBL8912197

SCHEMBL8912197

CCOC(=O)CN1C2CCCC1CC(C(=O)OCC)C2

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 12/20 0.42
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL30028689 0.94 MEN1 (0.43) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
Ethyl Bromo Acetate SCHEMBL30029347 0.93 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL9698278 0.88 ENPP2 (0.38) KMT2AALDH1A1KDM4ESMN1; SMN2POLB
Ethyl Bromo Acetate SCHEMBL30029142 0.87 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5114769 0.86 MEN1 (0.40) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL1268069 0.84 ALDH1A1 (0.42) KMT2AALDH1A1KDM4EPOLBCYP2D6
SCHEMBL8912207 0.84 MEN1 (0.38) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL5121809 0.82 GSK3A (0.40) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8912481 0.78 KMT2A (0.40) KMT2AALDH1A1KDM4EPOLBL3MBTL1
SCHEMBL14446813 0.78 TP53 (0.39) ALDH1A1SMN1; SMN2POLB

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 5 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