SCHEMBL21474579

SCHEMBL21474579

CCOC(=O)C1=C(Sc2ccccc2)c2ccc(Cl)cc2CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.42
SLC6A15 Q9H2J7 4/20 0.42
MAPT P10636 3/20 0.42
ALOX15 P16050 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CYP2C19 P33261 2/20 0.42
NPC1 O15118 1/20 0.42
CACNA1F O60840 1/20 0.42
NR1I2 O75469 1/20 0.42
GMNN O75496 1/20 0.42
USP2 O75604 1/20 0.42
ABCB11 O95342 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CHRM2 P08172 1/20 0.42
ABCB1 P08183 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADORA3 P0DMS8 1/20 0.42

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
SCHEMBL21474573 0.92 ALDH1A1 (0.41) HRH1SLC6A15MAPTALOX15MEN1
SCHEMBL21474668 0.83 POLB (0.39) SLC6A15MAPTALOX15MEN1KMT2A
SCHEMBL21474672 0.81 MAPK14 (0.42) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL21474575 0.81 ALDH1A1 (0.41) SLC6A15MAPTALOX15MEN1KMT2A
SCHEMBL21474555 0.79 ALDH1A1 (0.40) MAPTMEN1KMT2ANPSR1ALDH1A1
SCHEMBL21478248 0.75 MAPT (0.40) MAPTALOX15MEN1KMT2ANPSR1
SCHEMBL21474571 0.73 MAPK1 (0.42) ALOX15MEN1KMT2ACYP2C19LMNA
SCHEMBL21478257 0.73 ALDH1A1 (0.49) MAPTALOX15MEN1KMT2ANPSR1
SCHEMBL25549318 0.72 KDM4E (0.45) SLC6A15MAPTALOX15MEN1KMT2A
SCHEMBL9571031 0.71 ALDH1A1 (0.43) HRH1SLC6A15MAPTALOX15MEN1

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-2019199979-A1 ANTIBACTERIAL COMPOUNDS THE GENERAL HOSPITAL CORPORATION (US) 2019-10-17 WO disclosed