SCHEMBL31361338

SCHEMBL31361338

CC1(C)OCc2c(CC=O)cccc2O1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL1688141 0.80 ALDH1A1 (0.35) ALDH1A1MAPK1KMT2A
SCHEMBL15160348 0.78 ALDH1A1 (0.35) ALDH1A1MAPK1KMT2A
SCHEMBL18600542 0.78 AKR1B1 (0.39) ALDH1A1KMT2A
SCHEMBL15068425 0.77 ALDH1A1 (0.34) ALDH1A1MAPK1KMT2A
SCHEMBL17001275 0.75 ADRA1A (0.35) ALDH1A1MAPK1KMT2A
SCHEMBL14140930 0.74 L3MBTL1 (0.39) ALDH1A1MAPK1KMT2A
SCHEMBL15158812 0.74 ALDH1A1 (0.32) ALDH1A1MAPK1KMT2A
SCHEMBL15068402 0.72 MTNR1A (0.39) ALDH1A1KMT2A
SCHEMBL15068374 0.72
SCHEMBL22664721 0.71 ALDH1A1 (0.31) ALDH1A1MAPK1KMT2A

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-113999232-B MAT2A inhibitors 南京正大天晴制药有限公司 2025-01-07 CN disclosed