SCHEMBL24701274

SCHEMBL24701274

CC(C)(C)OC(=O)N[C@H]1CC2(CO)CC1C2

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.48
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
KDM1A O60341 2/20 0.37
BTK Q06187 1/20 0.37
HSD11B2 P80365 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
EPHX1 P07099 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CTSK P43235 2/20 0.35

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
SCHEMBL26782822 0.82 CTSK (0.40) HSD11B1NFKB1NFKB2RELAKDM1A
SCHEMBL19931880 0.81 HSD11B1 (0.36) HSD11B1NFKB1NFKB2RELAKDM1A
SCHEMBL23900570 0.80 HSD11B1 (0.37) HSD11B1NFKB1NFKB2RELAKDM1A
SCHEMBL1844173 0.80 HSD11B1 (0.58) HSD11B1HSD11B2MEN1MAPK1KMT2A
SCHEMBL1844175 0.80 HSD11B1 (0.58) HSD11B1HSD11B2MEN1MAPK1KMT2A
SCHEMBL1844176 0.80 HSD11B1 (0.58) HSD11B1HSD11B2MEN1MAPK1KMT2A
SCHEMBL23281289 0.78 NFKB1 (0.40) HSD11B1NFKB1NFKB2RELAKDM1A
SCHEMBL23625485 0.76 BTK (0.44) HSD11B1NFKB1NFKB2RELAKDM1A
SCHEMBL24543130 0.76 BTK (0.44) HSD11B1NFKB1NFKB2RELAKDM1A
SCHEMBL23562417 0.76 HSD11B1 (0.47) HSD11B1NFKB1NFKB2RELAKDM1A

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-2022254377-A1 NEODEGRADER-ANTI-CD33 ANTIBODY CONJUGATES ORUM THERAPEUTICS, INC. (KR) 2022-12-08 WO disclosed