SCHEMBL16213677

SCHEMBL16213677

CCOC(C)CCNC(=O)CO

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
CNR1 P21554 2/20 0.35
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.32
LMNA P02545 3/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA4 P43681 1/20 0.31
NAAA Q02083 1/20 0.31
ACACB O00763 1/20 0.31
RAB9A P51151 1/20 0.30
PKM P14618 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL16213687 0.89 KMT2A (0.39) ALDH1A1KMT2AMEN1GAALMNA
SCHEMBL24259735 0.87 MEN1 (0.48) ALDH1A1CNR1KMT2AMEN1GAA
SCHEMBL14240967 0.83 EPHX1 (0.36) ALDH1A1KMT2AMEN1NAAA
SCHEMBL28055110 0.77 ALDH1A1 (0.31) ALDH1A1KMT2AMEN1
SCHEMBL14240966 0.76 EPHX1 (0.46) ALDH1A1KMT2AMEN1GAANAAA
SCHEMBL16384812 0.76 LMNA (0.46) ALDH1A1CNR1KMT2AGAAHPGD
SCHEMBL23006504 0.74 MEN1 (0.53) KMT2AMEN1GAAHTT
SCHEMBL25969893 0.72 HDAC1 (0.58) ALDH1A1KMT2AMEN1GAAHPGD
SCHEMBL16213675 0.70 LMNA (0.30) LMNA
SCHEMBL25779371 0.70 MEN1 (0.44) ALDH1A1KMT2AMEN1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021236695-A1 BI-FUNCTIONAL COMPOUNDS AND METHODS FOR TARGETED UBIQUITINATION OF ANDROGEN RECEPTOR MONTELINO THERAPEUTICS, INC. (US) 2021-11-25 WO disclosed
US-8877774-B2 Compounds having muscarinic receptor antagonist and beta2 Adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2014-11-04 US disclosed