SCHEMBL8620049

SCHEMBL8620049

COc1ccc(N2C(=O)[C@@H](N)[C@@H]2C2COC(C)(C)O2)cc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 11/20 0.40
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KCNH2 Q12809 1/20 0.36
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 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
SCHEMBL8620053 1.00 HSD11B1 (0.40) HSD11B1GAAL3MBTL1ALDH1A1KCNH2
SCHEMBL8870143 1.00 HSD11B1 (0.40) HSD11B1GAAL3MBTL1ALDH1A1KCNH2
SCHEMBL19433531 0.86 SMN1; SMN2 (0.45) HSD11B1L3MBTL1ALDH1A1KCNH2SMN1; SMN2
SCHEMBL9368035 0.85 L3MBTL1 (0.40) HSD11B1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL9372634 0.84 HSD11B1 (0.38) HSD11B1L3MBTL1ALDH1A1KCNH2SMN1; SMN2
SCHEMBL9368025 0.84 HSD11B1 (0.38) HSD11B1L3MBTL1ALDH1A1KCNH2SMN1; SMN2
SCHEMBL4170321 0.82 MMP1 (0.39) HSD11B1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL9368218 0.82 HSD11B1 (0.38) HSD11B1L3MBTL1ALDH1A1KCNH2TSHR
SCHEMBL18716489 0.81 HSD11B1 (0.39) HSD11B1L3MBTL1ALDH1A1KCNH2TSHR
SCHEMBL18716488 0.81 HSD11B1 (0.39) HSD11B1L3MBTL1ALDH1A1KCNH2TSHR

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
US-5716948-A 3-substituted carbacephems PFIZER INC. (US) 1998-02-10 US disclosed