SCHEMBL23399387

SCHEMBL23399387

CCCCc1c(C(C)C)nn(-c2cccc(C)c2)c1O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCGR P47871 9/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.37
CTSK P43235 1/20 0.37
KCNJ6 P48051 1/20 0.37
KCNJ5 P48544 1/20 0.37
KCNJ3 P48549 1/20 0.37
RPA1 P27694 1/20 0.36
KLKB1 P03952 1/20 0.36
APLNR P35414 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
NPY5R Q15761 1/20 0.35
HSD11B1 P28845 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
SCHEMBL23403543 0.94 ALDH1A1 (0.40) GCGRALDH1A1LMNACTSKKCNJ6
SCHEMBL23398842 0.88 ALDH1A1 (0.41) ALDH1A1LMNACTSKKCNJ6KCNJ5
SCHEMBL23400321 0.87 GCGR (0.43) GCGRALDH1A1LMNA
SCHEMBL23403496 0.85 ALDH1A1 (0.40) ALDH1A1LMNAKCNJ6KCNJ5KCNJ3
SCHEMBL23399925 0.84 GCGR (0.43) GCGRLMNA
SCHEMBL23402015 0.84 ALDH1A1 (0.42) ALDH1A1LMNACTSKRPA1KLKB1
SCHEMBL23402729 0.84 ALDH1A1 (0.46) ALDH1A1LMNACTSKRPA1APLNR
SCHEMBL23401722 0.84 ALDH1A1 (0.38) ALDH1A1LMNACTSKKCNJ6KCNJ5
SCHEMBL23402087 0.84 ALDH1A1 (0.38) GCGRALDH1A1LMNA
SCHEMBL23402218 0.83 ALDH1A1 (0.41) ALDH1A1LMNACTSKRPA1KLKB1

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