SCHEMBL14610490

SCHEMBL14610490

CCOc1ccc(-c2ccccc2O)cc1C(=O)NC(CO)Cc1c[nH]c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.46
HDAC4 P56524 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC7 Q8WUI4 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC10 Q969S8 3/20 0.46
HDAC11 Q96DB2 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC9 Q9UKV0 3/20 0.46
HDAC5 Q9UQL6 3/20 0.46
MAPT P10636 5/20 0.43
HPGD P15428 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
THRB P10828 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL14610789 0.92 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14557629 0.92 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14611084 0.91 CCKBR (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4601567 0.91 CCKBR (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14610782 0.91 NEK1 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4601537 0.91 NEK1 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14610567 0.90 HPGDS (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14557598 0.90 MAPT (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14610781 0.90 MAPT (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14557622 0.90 MAPT (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2

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-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 WO disclosed