SCHEMBL8569414

SCHEMBL8569414

O=C(CCCCCl)c1cccc2c1OCCO2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 3/20 0.60
WNT3A P56704 3/20 0.60
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
MTNR1A P48039 9/20 0.46
HTR1A P08908 2/20 0.43
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL2900730 0.83 CTNNB1 (0.59) CTNNB1WNT3AHDAC3HDAC4HDAC1
SCHEMBL15980096 0.79 CTNNB1 (0.62) CTNNB1WNT3AHDAC3HDAC4HDAC1
SCHEMBL15968487 0.78 CTNNB1 (0.74) CTNNB1WNT3AHDAC3HDAC4HDAC1
SCHEMBL28753366 0.77 HDAC3 (0.63) CTNNB1WNT3AHDAC3HDAC4HDAC1
SCHEMBL639330 0.77 CTNNB1 (0.59) CTNNB1WNT3AHDAC3HDAC4HDAC1
SCHEMBL15980090 0.77 CTNNB1 (0.70) CTNNB1WNT3AHDAC3HDAC4HDAC1
SCHEMBL15979966 0.77 CTNNB1 (0.68) CTNNB1WNT3AHDAC3HDAC4HDAC1
SCHEMBL15979916 0.76 CTNNB1 (0.60) CTNNB1WNT3AHDAC3HDAC4HDAC1
SCHEMBL15979978 0.75 CTNNB1 (0.77) CTNNB1WNT3AHDAC3HDAC4HDAC1
SCHEMBL15980091 0.75 CTNNB1 (0.67) CTNNB1WNT3AHDAC3HDAC4HDAC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5739336-A SELECTIVE 5-HYDROXYTRYPTAMINE-2C RECEPTOR ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1998-04-14 US disclosed
WO-1997000872-A1 1,3,8-TRIAZA- AND 3,8-DIAZA-1-OXASPIRO(4,5)DECANE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 1997-01-09 WO disclosed