SCHEMBL28097052

SCHEMBL28097052

CC(C)(CCC1CCC(O)CC1)OC(N)=O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.30
▸ CHRM1 P11229 1/20 0.30
▸ CHRM3 P20309 1/20 0.30
▸ CYP3A4 P08684 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL27593048 0.86 LMNA (0.40) LMNAHSD17B10
SCHEMBL27593046 0.86 LMNA (0.40) LMNAHSD17B10
SCHEMBL27593040 0.86 NR1H2 (0.37) LMNAHSD17B10
SCHEMBL27593233 0.86 LMNA (0.30) LMNAHSD17B10
SCHEMBL3603125 0.86 CHRM2 (0.33) CHRM2CHRM1CHRM3LMNAHSD17B10
SCHEMBL27611213 0.86 LMNA (0.40) LMNAHSD17B10
SCHEMBL27593039 0.86 NR1H2 (0.37) LMNAHSD17B10
SCHEMBL27593232 0.86 LMNA (0.30) LMNAHSD17B10
SCHEMBL27613018 0.84 THRA (0.35) CHRM2CHRM1CHRM3CYP3A4KDM4E
SCHEMBL27594438 0.84 THRA (0.35) CHRM2CHRM1CHRM3CYP3A4KDM4E

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
CN-105916499-A 12-epi-pleuromutilins 纳布里瓦治疗股份公司 2016-08-31 — — CN disclosed
Send feedback