SCHEMBL23401595

SCHEMBL23401595

Cc1cccc(-n2nc(O)c(CC(C)C)c2CC(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
RPA1 P27694 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 4/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
HSD17B10 Q99714 3/20 0.37
TP53 P04637 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
PLK1 P53350 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 2/20 0.36
RIPK2 O43353 1/20 0.36
CACNA1H O95180 1/20 0.36
SPR P35270 1/20 0.35
NPBWR1 P48145 1/20 0.35

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
SCHEMBL23398815 0.92 ALDH1A1 (0.40) ALDH1A1RPA1L3MBTL1LMNANPC1
SCHEMBL23400869 0.92 ALDH1A1 (0.40) ALDH1A1RPA1L3MBTL1LMNANPC1
SCHEMBL23398578 0.90 ALDH1A1 (0.38) ALDH1A1RPA1L3MBTL1LMNAHSD17B10
SCHEMBL23400564 0.90 ALDH1A1 (0.38) ALDH1A1RPA1L3MBTL1LMNANPC1
SCHEMBL23401373 0.89 LMNA (0.38) ALDH1A1RPA1L3MBTL1LMNANPC1
SCHEMBL23402417 0.88 ALDH1A1 (0.36) ALDH1A1RPA1L3MBTL1LMNANPC1
SCHEMBL23400073 0.88 ALDH1A1 (0.42) ALDH1A1RPA1L3MBTL1LMNANPC1
SCHEMBL23399125 0.88 ALDH1A1 (0.42) ALDH1A1RPA1L3MBTL1LMNANPC1
SCHEMBL23400991 0.85 ALDH1A1 (0.40) ALDH1A1RPA1L3MBTL1LMNANPC1
SCHEMBL23399025 0.84 CACNA1H (0.44) ALDH1A1LMNANPC1RAB9ATSHR

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