SCHEMBL23399181

SCHEMBL23399181

Cc1ccc(-c2c(O)nn(-c3ccccc3C)c2-c2cccc(C)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
ADORA1 P30542 2/20 0.39
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 3/20 0.37
LMNA P02545 2/20 0.37
USP2 O75604 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
RPA1 P27694 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
IDH1 O75874 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
SCHEMBL23398836 0.95 ALDH1A1 (0.45) ALDH1A1MAPTL3MBTL1TSHRLMNA
SCHEMBL23401848 0.90 ALDH1A1 (0.44) ALDH1A1ADORA1MAPTL3MBTL1TSHR
SCHEMBL23399922 0.90 ALDH1A1 (0.44) ALDH1A1ADORA1MAPTL3MBTL1TSHR
SCHEMBL23403641 0.90 ALDH1A1 (0.43) ALDH1A1ADORA1MAPTL3MBTL1MEN1
SCHEMBL23400330 0.85 ALDH1A1 (0.48) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL23398788 0.84 L3MBTL1 (0.50) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL23400390 0.84 ALDH1A1 (0.44) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL23402902 0.84 ALDH1A1 (0.48) ALDH1A1ADORA1MAPTL3MBTL1KMT2A
SCHEMBL23398921 0.83 L3MBTL1 (0.49) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL23400725 0.83 ADORA1 (0.39) ALDH1A1ADORA1MAPTL3MBTL1MEN1

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