SCHEMBL23401985

SCHEMBL23401985

CCc1nn(-c2cccc(C)c2)c(O)c1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPT P10636 5/20 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
KCNJ6 P48051 1/20 0.39
KCNJ5 P48544 1/20 0.39
KCNJ3 P48549 1/20 0.39
MAPK14 Q16539 2/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
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
MAPK9 P45984 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
SCHEMBL23399987 0.90 ALDH1A1 (0.40) ALDH1A1MAPTLMNAKCNJ6KCNJ5
SCHEMBL23399286 0.88 ALDH1A1 (0.40) ALDH1A1MAPTLMNAKCNJ6KCNJ5
SCHEMBL23401767 0.87 ALDH1A1 (0.38) ALDH1A1MAPTLMNAKCNJ6KCNJ5
SCHEMBL23403397 0.84 ALDH1A1 (0.48) ALDH1A1MAPTLMNAPDE4APDE4B
SCHEMBL23398573 0.83 ALDH1A1 (0.45) ALDH1A1MAPTLMNAPDE4APDE4B
SCHEMBL23401495 0.83 ALDH1A1 (0.49) ALDH1A1MAPTLMNAKCNJ6KCNJ5
SCHEMBL23402791 0.83 PDE4A (0.38) ALDH1A1MAPTLMNAPDE4APDE4B
SCHEMBL23402069 0.82 ALDH1A1 (0.40) ALDH1A1MAPTLMNAMAPK14MAPK13
SCHEMBL23400546 0.82 ALDH1A1 (0.44) ALDH1A1MAPTLMNAKCNJ6KCNJ5
SCHEMBL23402852 0.82 ALDH1A1 (0.44) ALDH1A1MAPTLMNAPDE4APDE4B

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