SCHEMBL23398778

SCHEMBL23398778

CCCc1c(O)nn(-c2cccc(C)c2)c1-c1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
MAPT P10636 3/20 0.48
KDM4E B2RXH2 3/20 0.48
TP53 P04637 2/20 0.48
ESR1 P03372 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
KMT2A Q03164 2/20 0.48
GMNN O75496 1/20 0.48
USP2 O75604 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
ALOX12 P18054 1/20 0.48
NFKB1 P19838 1/20 0.48
MAPK1 P28482 1/20 0.48
THPO P40225 1/20 0.48
BLM P54132 1/20 0.48

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
SCHEMBL23401244 0.94 LMNA (0.41) LMNAMAPTKDM4ETP53ESR1
SCHEMBL23402678 0.93 RPA1 (0.46) LMNAMAPTKDM4ETP53ESR1
SCHEMBL23400557 0.91 ALDH1A1 (0.45) LMNAMAPTKDM4ETP53ESR1
SCHEMBL23401355 0.90 ALDH1A1 (0.40) LMNAMAPTKDM4ETP53ESR1
SCHEMBL23400731 0.88 MAPT (0.54) LMNAMAPTKDM4ETP53ESR1
SCHEMBL23399334 0.88 TP53 (0.48) LMNAMAPTKDM4ETP53ESR1
SCHEMBL23403164 0.87 KMT2A (0.62) LMNAMAPTKDM4ETP53ESR1
SCHEMBL23402065 0.86 RPA1 (0.45) LMNAMAPTKDM4ETP53ESR1
SCHEMBL23400469 0.85 ALDH1A1 (0.46) LMNAMAPTKDM4ETP53ESR1
SCHEMBL23401738 0.85 ALDH1A1 (0.44) LMNAMAPTKDM4ETP53ESR1

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