SCHEMBL23403291

SCHEMBL23403291

CCc1c(O)nn(-c2cccc(C)c2)c1CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.40
RPA1 P27694 1/20 0.40
CTSK P43235 1/20 0.38
MAPT P10636 4/20 0.38
LMNA P02545 3/20 0.38
RIPK2 O43353 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
TP53 P04637 1/20 0.38
NPBWR1 P48145 1/20 0.37
MCHR1 Q99705 1/20 0.37
APLNR P35414 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PAX8 Q06710 1/20 0.37
NPY5R Q15761 1/20 0.36
KMT2A Q03164 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
SCHEMBL23401744 0.90 ALDH1A1 (0.41) ALDH1A1L3MBTL1RPA1CTSKMAPT
SCHEMBL23398529 0.90 ALDH1A1 (0.41) ALDH1A1L3MBTL1RPA1CTSKMAPT
SCHEMBL23403110 0.89 ALDH1A1 (0.40) ALDH1A1L3MBTL1RPA1CTSKMAPT
SCHEMBL23398815 0.88 ALDH1A1 (0.40) ALDH1A1L3MBTL1RPA1CTSKMAPT
SCHEMBL23398375 0.88 ALDH1A1 (0.40) ALDH1A1L3MBTL1RPA1CTSKMAPT
SCHEMBL23400869 0.88 ALDH1A1 (0.40) ALDH1A1L3MBTL1RPA1CTSKMAPT
SCHEMBL23398822 0.87 ALDH1A1 (0.45) ALDH1A1L3MBTL1RPA1CTSKMAPT
SCHEMBL23399745 0.87 ALDH1A1 (0.45) ALDH1A1L3MBTL1RPA1CTSKMAPT
SCHEMBL23400799 0.83 NR4A3 (0.46) ALDH1A1L3MBTL1LMNANPC1RAB9A
SCHEMBL23399010 0.81 ALDH1A1 (0.37) ALDH1A1L3MBTL1MAPTLMNAMAPK14

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