SCHEMBL23402111

SCHEMBL23402111

CCc1nn(-c2cccc(C)c2)c(C(C)C)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPT P10636 4/20 0.41
LMNA P02545 3/20 0.41
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
RPA1 P27694 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
DHFR P00374 1/20 0.38
MAPK1 P28482 1/20 0.36
CTSK P43235 1/20 0.36
KCNJ6 P48051 1/20 0.36
KCNJ5 P48544 1/20 0.36
KCNJ3 P48549 1/20 0.36
RIPK2 O43353 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36

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
SCHEMBL23403555 0.90 ALDH1A1 (0.40) ALDH1A1MAPTLMNAPDE4APDE4B
SCHEMBL23401926 0.88 ALDH1A1 (0.40) ALDH1A1MAPTLMNARPA1L3MBTL1
SCHEMBL23402709 0.87 ALDH1A1 (0.38) ALDH1A1MAPTLMNARPA1L3MBTL1
SCHEMBL23401914 0.84 ALDH1A1 (0.48) ALDH1A1MAPTLMNAPDE4APDE4B
SCHEMBL23400451 0.83 PDE4A (0.38) ALDH1A1MAPTLMNAPDE4APDE4B
SCHEMBL23402531 0.83 ALDH1A1 (0.45) ALDH1A1MAPTLMNAPDE4APDE4B
SCHEMBL23400883 0.83 ALDH1A1 (0.49) ALDH1A1MAPTLMNARPA1L3MBTL1
SCHEMBL23402183 0.82 ALDH1A1 (0.44) ALDH1A1MAPTLMNAPDE4APDE4B
SCHEMBL23398701 0.82 ALDH1A1 (0.40) ALDH1A1MAPTLMNAPDE4APDE4B
SCHEMBL23402607 0.81 ALDH1A1 (0.41) ALDH1A1MAPTLMNARPA1L3MBTL1

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