SCHEMBL23403530

SCHEMBL23403530

CCCCc1[nH]n(C(C)C)c(=O)c1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
DCTPP1 Q9H773 1/20 0.45
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.37
KDM5B Q9UGL1 1/20 0.36
GAA P10253 2/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.36
GCGR P47871 1/20 0.35
HPGD P15428 1/20 0.35
HSD11B1 P28845 1/20 0.35
MAT2A P31153 1/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL23398653 0.85 KDM4E (0.49) KDM4EDCTPP1MEN1KMT2AMAPT
SCHEMBL23400012 0.81 KDM4E (0.56) KDM4EDCTPP1MEN1KMT2AALDH1A1
SCHEMBL23399709 0.81 GAA (0.39) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL23400945 0.81 KDM4E (0.51) KDM4EDCTPP1MEN1KMT2AALDH1A1
SCHEMBL23400374 0.79 KDM4E (0.63) KDM4EDCTPP1MEN1KMT2AALDH1A1
SCHEMBL23398890 0.79 KDM4E (0.54) KDM4EDCTPP1MEN1KMT2AALDH1A1
SCHEMBL23402973 0.79 KDM4E (0.54) KDM4EDCTPP1MEN1KMT2AALDH1A1
SCHEMBL23400854 0.78 CYBB (0.47) KDM4EDCTPP1MEN1KMT2AALDH1A1
SCHEMBL23403433 0.78 KDM4E (0.56) KDM4EDCTPP1MEN1KMT2AALDH1A1
SCHEMBL23403459 0.74 TYMP (0.34) KDM4EDCTPP1ALDH1A1MAPTHSD17B10

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