SCHEMBL23402256

SCHEMBL23402256

CCCCc1cc(O)nn1-c1cccc(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
APLNR P35414 1/20 0.41
LMNA P02545 3/20 0.40
CTSK P43235 1/20 0.40
HSD11B1 P28845 1/20 0.40
RPA1 P27694 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
POLB P06746 1/20 0.37
NFKB1 P19838 1/20 0.37
MAPK1 P28482 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 2/20 0.37
RIPK2 O43353 1/20 0.37
TLR8 Q9NR97 1/20 0.37
SPR P35270 1/20 0.37

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
SCHEMBL23401971 0.91 ALDH1A1 (0.45) ALDH1A1APLNRLMNACTSKHSD11B1
SCHEMBL23400591 0.87 ALDH1A1 (0.46) ALDH1A1APLNRLMNACTSKHSD11B1
SCHEMBL23401114 0.85 CNR1 (0.48) ALDH1A1LMNAMAPK1USP2
SCHEMBL23401442 0.84 RAB9A (0.40) ALDH1A1APLNRLMNAL3MBTL1TP53
SCHEMBL23401576 0.80 CNR1 (0.47) ALDH1A1APLNRLMNACTSKHSD11B1
SCHEMBL23403191 0.80 ALDH1A1 (0.43) ALDH1A1APLNRLMNAHSD11B1RPA1
SCHEMBL23402313 0.79 ALDH1A1 (0.42) ALDH1A1APLNRLMNACTSKHSD11B1
SCHEMBL23402729 0.79 ALDH1A1 (0.46) ALDH1A1APLNRLMNACTSKHSD11B1
SCHEMBL23402015 0.79 ALDH1A1 (0.42) ALDH1A1APLNRLMNACTSKHSD11B1
SCHEMBL23400514 0.77 ALDH1A1 (0.51) ALDH1A1LMNARPA1L3MBTL1TP53

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