SCHEMBL23159147

SCHEMBL23159147

O=S(=O)(OCC1CCOC1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 3/20 0.47
MCHR1 Q99705 1/20 0.39
GBA1 P04062 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
NAMPT P43490 1/20 0.37
MAPK1 P28482 1/20 0.37
AOC2 O75106 2/20 0.37
MAOA P21397 2/20 0.37
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PARL Q9H300 1/20 0.36
BRD4 O60885 1/20 0.35
GRM5 P41594 1/20 0.35
GRM4 Q14833 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
XDH P47989 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL2222219 0.85 ALDH1A1 (0.42) FFAR2MAPK1AOC2MAOANPSR1
SCHEMBL4347000 0.85 ALDH1A1 (0.42) FFAR2MAPK1AOC2MAOANPSR1
SCHEMBL21037193 0.85 AOC2 (0.40) FFAR2MCHR1PRMT5WDR77NAMPT
SCHEMBL10171748 0.85 ALDH1A1 (0.42) FFAR2MAPK1AOC2MAOANPSR1
SCHEMBL12816496 0.81 PKM (0.40) FFAR2MCHR1PRMT5WDR77NPSR1
SCHEMBL12816499 0.81 KMT2A (0.41) FFAR2MCHR1NPSR1LMNASMN1; SMN2
SCHEMBL20751552 0.79 AOC2 (0.50) FFAR2GBA1NAMPTAOC2MAOA
SCHEMBL15929766 0.79 AOC2 (0.50) FFAR2GBA1NAMPTAOC2MAOA
SCHEMBL6556991 0.78 GBA1 (0.43) FFAR2GBA1MAPK1NPSR1PARL
SCHEMBL28184784 0.77 ALDH1A1 (0.44) FFAR2GBA1MAPK1PARLMEN1

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-3587420-B1 TRI-CYCLE COMPOUND AND APPLICATIONS THEREOF FUJIAN COSUNTER PHARMACEUTICAL CO LTD (CN) 2021-03-31 EP disclosed