SCHEMBL20813372

SCHEMBL20813372

CC(=O)N[C@@H]1C[C@@H](OC(C)=O)[C@@H](C)OC1O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.36
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CA9 Q16790 4/20 0.31
CA12 O43570 3/20 0.31
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
OGA O60502 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
SCHEMBL22965608 0.80 TSHR (0.42) KMT2ATSHRCHRM2CHRM4CHRM1
SCHEMBL22537921 0.76 CA12 (0.56) KMT2ATSHRSMN1; SMN2CA9CA12
SCHEMBL14601507 0.74 TSHR (0.43) KMT2ATSHRCHRM2CHRM4CHRM1
SCHEMBL13841443 0.73 TSHR (0.42) KMT2ATSHRCHRM2CHRM4CHRM1
SCHEMBL17267013 0.72 TSHR (0.39) KMT2ATSHRCHRM2CHRM4CHRM1
SCHEMBL14601506 0.71 TSHR (0.56) NPSR1KMT2ATSHRCHRM2CHRM4
SCHEMBL22965609 0.70 TSHR (0.40) KMT2ATSHRCHRM2CHRM4CHRM1
SCHEMBL30577671 0.69 TSHR (0.42) KMT2ATSHRCHRM2CHRM4CHRM1
SCHEMBL19559915 0.68 SMN1; SMN2 (0.35) NPSR1KMT2ASMN1; SMN2MTNR1AMTNR1B
SCHEMBL10795414 0.68 KMT2A (0.39) NPSR1KMT2ATSHRCHRM2CHRM4

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
WO-2019051257-A2 METHODS FOR TREATING HEPATITIS B INFECTIONS ARBUTUS BIOPHARMA CORPORATION (CA) 2019-03-14 WO disclosed