SCHEMBL21474594

SCHEMBL21474594

COC(=O)C1=C(Oc2ccccc2)c2cc(Cl)ccc2CC1CCc1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.41
EPHX2 P34913 1/20 0.41
PLA2G2A P14555 1/20 0.38
NPY5R Q15761 1/20 0.37
FFAR4 Q5NUL3 3/20 0.37
ALDH1A1 P00352 5/20 0.36
HTT P42858 2/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
P2RX3 P56373 1/20 0.36
S1PR5 Q9H228 1/20 0.36
NPSR1 Q6W5P4 3/20 0.36
MAPT P10636 1/20 0.36
FFAR1 O14842 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PPARG P37231 3/20 0.35
PPARA Q07869 3/20 0.35

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
SCHEMBL21478277 0.83 CYP26A1 (0.39) LTA4HEPHX2NPY5RALDH1A1HTT
SCHEMBL21478276 0.79 FFAR1 (0.39) FFAR1
SCHEMBL21478254 0.78 MAOB (0.39) MAPTMEN1KMT2ALMNA
SCHEMBL21474683 0.73 MAOB (0.40) ALDH1A1MAPTFFAR1MEN1KMT2A
SCHEMBL21474596 0.69 LTB4R (0.42) EPHX2PLA2G2ANPY5RFFAR4HTT
SCHEMBL21474591 0.67 ACHE (0.38) MEN1KMT2A
SCHEMBL21478273 0.65 SLC6A3 (0.42) ALDH1A1GAAHPGDNPSR1LMNA
SCHEMBL21723102 0.62 ABL1 (0.54) ALDH1A1HTTGAAHPGDATM
SCHEMBL7776449 0.62 MAPT (0.64) MAPTFFAR1MEN1KMT2ASMN1; SMN2
SCHEMBL21474588 0.60 SLC6A3 (0.46) ALDH1A1HTTHPGDL3MBTL1NPSR1

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