SCHEMBL23401757

SCHEMBL23401757

CCCc1nn(-c2ccc(C)c(C)c2)c(O)c1CC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 3/20 0.35
NPC1 O15118 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 3/20 0.34
RAB9A P51151 2/20 0.34
HTT P42858 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
PAX8 Q06710 1/20 0.34
MAPT P10636 4/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
STAT1 P42224 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 2/20 0.32
GMNN O75496 1/20 0.32

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
SCHEMBL23400211 0.93 MAPT (0.37) ALDH1A1KMT2AMEN1TP53NPC1
SCHEMBL23399046 0.91 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1TP53NPC1
SCHEMBL23401747 0.90 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1TP53NPC1
SCHEMBL23400571 0.90 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1TP53NPC1
SCHEMBL23403394 0.88 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1TP53NPC1
SCHEMBL23398616 0.87 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1TP53NPC1
SCHEMBL23402823 0.87 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1TP53NPC1
SCHEMBL23401778 0.86 TP53 (0.36) ALDH1A1KMT2AMEN1TP53NPC1
SCHEMBL23399259 0.85 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1TP53NPC1
SCHEMBL23400576 0.84 ALDH1A1 (0.38) ALDH1A1NPC1LMNARAB9AMAPT

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