SCHEMBL25909044

SCHEMBL25909044

CN(C(=O)OC(C)(C)C)[C@H]1CC[C@H](OC(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.42
ASGR1 P07306 1/20 0.33
USP30 Q70CQ3 2/20 0.32
KAT6A Q92794 1/20 0.32
KAT8 Q9H7Z6 1/20 0.32
KDM4D Q6B0I6 1/20 0.31
BUB1 O43683 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
CHRM3 P20309 1/20 0.30
PDE10A Q9Y233 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
SCHEMBL190837 0.86 HSD11B1 (0.47) HSD11B1ASGR1USP30KAT6AKAT8
SCHEMBL1057481 0.83 HSD11B1 (0.41) HSD11B1ASGR1USP30KAT6AKAT8
SCHEMBL12548366 0.83 HSD11B1 (0.41) HSD11B1ASGR1USP30KAT6AKAT8
SCHEMBL1057478 0.83 HSD11B1 (0.41) HSD11B1ASGR1USP30KAT6AKAT8
SCHEMBL28804055 0.81 HSD11B1 (0.44) HSD11B1ASGR1USP30KAT6AKAT8
SCHEMBL28804053 0.81 HSD11B1 (0.44) HSD11B1ASGR1USP30KAT6AKAT8
SCHEMBL228179 0.81 HSD11B1 (0.46) HSD11B1ASGR1KDM4DALDH1A1CHRM3
SCHEMBL12256701 0.81 MEN1 (0.49) HSD11B1USP30ALDH1A1
SCHEMBL2394686 0.81 MEN1 (0.49) HSD11B1USP30ALDH1A1
SCHEMBL1344888 0.80 HSD11B1 (0.41) HSD11B1ASGR1USP30KDM4DBUB1

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
EP-4219485-A1 FUSED TRICYCLIC DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-08-02 EP disclosed