SCHEMBL23401778

SCHEMBL23401778

CCCc1nn(-c2ccc(C)cc2)c(O)c1CC(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 3/20 0.36
USP2 O75604 3/20 0.36
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 3/20 0.36
CYP2C9 P11712 2/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 2/20 0.36
GMNN O75496 1/20 0.36
ESR1 P03372 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.36
NFKB1 P19838 1/20 0.36
CYP2C19 P33261 1/20 0.36
THPO P40225 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
SCHEMBL23400094 0.92 GCGR (0.33) TP53KMT2AMAPTUSP2KDM4E
SCHEMBL23400179 0.90 KMT2A (0.40) TP53KMT2AMAPTUSP2KDM4E
SCHEMBL23403213 0.89 KDM4E (0.36) TP53KMT2AMAPTUSP2KDM4E
SCHEMBL23403081 0.89 KDM4E (0.38) TP53KMT2AMAPTUSP2KDM4E
SCHEMBL23402962 0.89 TP53 (0.44) TP53KMT2AMAPTUSP2KDM4E
SCHEMBL23403489 0.88 USP2 (0.41) TP53KMT2AMAPTUSP2KDM4E
SCHEMBL23402203 0.86 KDM4E (0.35) TP53KMT2AMAPTUSP2KDM4E
SCHEMBL23401847 0.86 TP53 (0.40) TP53KMT2AMAPTUSP2KDM4E
SCHEMBL23399691 0.86 TP53 (0.40) TP53KMT2AMAPTUSP2KDM4E
SCHEMBL23401757 0.86 ALDH1A1 (0.38) TP53KMT2AMAPTUSP2KDM4E

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