SCHEMBL6958385

SCHEMBL6958385

O=C(O)ON1CCC(c2ccc3c(c2)OCO3)C(O)C1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL6954030 0.85 MAPT (0.39) MAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL6042649 0.81 ALDH1A1 (0.45) MAPTALDH1A1TSHRKDM4EPOLB
SCHEMBL6953373 0.78 MEN1 (0.41)
SCHEMBL6954026 0.78 SLC18A3 (0.51)
SCHEMBL6959529 0.77 KMT2A (0.40) MAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL6952186 0.77 SLC6A3 (0.40)
SCHEMBL6960338 0.77 MEN1 (0.43) TSHR
SCHEMBL22831700 0.75 EPHX2 (0.52) MAPTALDH1A1KDM4E
SCHEMBL6955374 0.75 MEN1 (0.41)
SCHEMBL6952629 0.73 MEN1 (0.35) TSHR

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-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed