SCHEMBL23399310

SCHEMBL23399310

Cc1ccccc1-n1[nH]c(C(C)(C)C)cc1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
MAPT P10636 5/20 0.64
POLB P06746 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
LMNA P02545 2/20 0.64
BLM P54132 1/20 0.64
ATM Q13315 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MGLL Q99685 1/20 0.40
ABCC9 O60706 1/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
KCNJ8 Q15842 1/20 0.39
ALOX5 P09917 2/20 0.37
NOX4 Q9NPH5 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 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
SCHEMBL5527948 0.80 MAPT (0.70) ALDH1A1MAPTPOLBL3MBTL1LMNA
SCHEMBL7247120 0.78 ALDH1A1 (1.00) ALDH1A1MAPTPOLBL3MBTL1LMNA
SCHEMBL23402031 0.74 MAPT (0.46) ALDH1A1MAPTL3MBTL1LMNAATM
SCHEMBL23398687 0.74 KDM4E (0.46) ALDH1A1MAPTPOLBL3MBTL1LMNA
SCHEMBL23400261 0.74 NOX4 (0.54) ALDH1A1MAPTPOLBL3MBTL1LMNA
SCHEMBL23402279 0.74 MAPT (0.46) ALDH1A1MAPTPOLBL3MBTL1LMNA
SCHEMBL5672393 0.74 ALDH1A1 (0.64) ALDH1A1MAPTPOLBL3MBTL1LMNA
SCHEMBL23400940 0.73 ALDH1A1 (0.73) ALDH1A1MAPTPOLBL3MBTL1LMNA
SCHEMBL23400434 0.73 L3MBTL1 (0.71) ALDH1A1MAPTPOLBL3MBTL1LMNA
SCHEMBL9114976 0.73 ALKBH5 (0.60) ALDH1A1MAPTSMN1; SMN2KDM4E

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