Sugi Predict

Sugi Predict / Compounds / SCHEMBL21145974

SCHEMBL21145974

SCHEMBL21145974

CC(C)N1[C@@H]2CCC[C@H]1CC(=O)C2

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.65
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.32
▸ MCOLN3 Q8TDD5 1/20 0.32
▸ CHRM2 P08172 1/20 0.30
▸ CHRM4 P08173 1/20 0.30
▸ CHRM1 P11229 1/20 0.30
▸ CHRM3 P20309 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
SCHEMBL23475180 1.00 MAPK1 (0.65) MAPK1MEN1KMT2AALDH1A1MCOLN3
SCHEMBL3412272 1.00 MAPK1 (0.65) MAPK1MEN1KMT2AALDH1A1MCOLN3
SCHEMBL1922253 0.91 MAPK1 (0.52) MAPK1MEN1KMT2A
SCHEMBL26948154 0.82 MAPK1 (0.46) MAPK1MEN1KMT2A
SCHEMBL551145 0.79 MAPK1 (1.00) MAPK1MEN1KMT2ACHRM2CHRM4
SCHEMBL13908059 0.79 MAPK1 (1.00) MAPK1MEN1KMT2ACHRM2CHRM4
SCHEMBL18270113 0.79 MAPK1 (0.41) MAPK1MEN1KMT2A
SCHEMBL26997593 0.78 MAPK1 (0.39) MAPK1
SCHEMBL761431 0.78 MAPK1 (0.39) MAPK1
Hydrochloric Acid SCHEMBL934612 0.77 MAPK1 (0.95) MAPK1MEN1KMT2ACHRM2CHRM4

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-2019118358-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS VenatoRx Pharmaceuticals, Inc. (US) 2019-06-20 — — WO disclosed