SCHEMBL21603115

SCHEMBL21603115

CCCCCCCCC(=O)OC(Br)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
ASAH1 Q13510 2/20 0.49
MAPT P10636 2/20 0.49
MAPK1 P28482 2/20 0.49
ALDH1A1 P00352 2/20 0.48
ACER2 Q5QJU3 1/20 0.48
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
TLR2 O60603 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
RECQL P46063 1/20 0.46
NAAA Q02083 2/20 0.44
CERT1 Q9Y5P4 3/20 0.44
GMNN O75496 1/20 0.43
HSP90AA1 P07900 1/20 0.43
BLM P54132 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NR1H4 Q96RI1 1/20 0.43

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
SCHEMBL11456690 0.94 KDM4E (0.51) LMNAASAH1MAPTMAPK1ALDH1A1
SCHEMBL966036 0.84 LMNA (0.54) LMNAASAH1MAPTMAPK1ALDH1A1
SCHEMBL4214175 0.84 LMNA (0.54) LMNAASAH1MAPTMAPK1ALDH1A1
SCHEMBL4210359 0.84 LMNA (0.54) LMNAASAH1MAPTMAPK1ALDH1A1
SCHEMBL966479 0.84 LMNA (0.54) LMNAASAH1MAPTMAPK1ALDH1A1
SCHEMBL964635 0.84 LMNA (0.54) LMNAASAH1MAPTMAPK1ALDH1A1
SCHEMBL4208796 0.84 LMNA (0.54) LMNAASAH1MAPTMAPK1ALDH1A1
SCHEMBL4208878 0.84 LMNA (0.54) LMNAASAH1MAPTMAPK1ALDH1A1
SCHEMBL966243 0.84 LMNA (0.54) LMNAASAH1MAPTMAPK1ALDH1A1
SCHEMBL962819 0.84 LMNA (0.54) LMNAASAH1MAPTMAPK1ALDH1A1

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
WO-2020004521-A1 THERAPEUTIC AGENT FOR INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES, FIBROTIC DISEASES, AND CANCER DISEASES Meiji Seikaファルマ株式会社 2020-01-02 WO disclosed