SCHEMBL23401615

SCHEMBL23401615

CCc1c(O)c(CC(C)C)nn1-c1cccc(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
CACNA1H O95180 1/20 0.37
RPA1 P27694 1/20 0.36
DHFR P00374 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
CTSK P43235 1/20 0.35
HSD11B1 P28845 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RIPK2 O43353 1/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34

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
SCHEMBL23400173 0.92 ALDH1A1 (0.41) ALDH1A1MAPTLMNACACNA1HRPA1
SCHEMBL23401543 0.90 ALDH1A1 (0.38) ALDH1A1MAPTLMNACACNA1HRPA1
SCHEMBL23398701 0.90 ALDH1A1 (0.40) ALDH1A1MAPTLMNACACNA1HRPA1
SCHEMBL23400091 0.88 LMNA (0.37) ALDH1A1MAPTLMNACACNA1HRPA1
SCHEMBL23402183 0.88 ALDH1A1 (0.44) ALDH1A1MAPTLMNARPA1DHFR
SCHEMBL23398751 0.85 ALDH1A1 (0.42) ALDH1A1MAPTLMNARPA1L3MBTL1
SCHEMBL23398767 0.85 CACNA1H (0.45) ALDH1A1LMNACACNA1HL3MBTL1GAA
SCHEMBL23402000 0.85 ALDH1A1 (0.38) ALDH1A1MAPTLMNACACNA1HRPA1
SCHEMBL23400637 0.84 ALDH1A1 (0.41) ALDH1A1MAPTLMNARPA1DHFR
SCHEMBL23403481 0.84 CACNA1H (0.37) ALDH1A1MAPTLMNACACNA1HDHFR

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed