SCHEMBL19903913

SCHEMBL19903913

CCC(CC)C1CC(=O)N(CCCCCC(=O)C(C)C)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.36
ALDH1A1 P00352 5/20 0.34
GAA P10253 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
HPGD P15428 2/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL278650 0.88 ALDH1A1 (0.36) CYP19A1ALDH1A1GAAHDAC3HDAC4
SCHEMBL23714916 0.88 ALDH1A1 (0.36) CYP19A1ALDH1A1GAAHDAC3HDAC4
SCHEMBL19090807 0.87 PAOX (0.41) CYP19A1ALDH1A1GAAHDAC3HDAC4
SCHEMBL14045727 0.87 CYP19A1 (0.40) CYP19A1ALDH1A1GAAHDAC3HDAC4
SCHEMBL15197949 0.87 ALDH1A1 (0.34) CYP19A1ALDH1A1GAAHDAC3HDAC4
SCHEMBL21213819 0.86 CYP19A1 (0.39) CYP19A1ALDH1A1HPGDHTTMEN1
SCHEMBL19522946 0.85 CYP19A1 (0.37) CYP19A1ALDH1A1GAAHDAC3HDAC4
SCHEMBL12458172 0.82 ALDH1A1 (0.34) CYP19A1ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL24084154 0.82 CYP19A1 (0.36) CYP19A1ALDH1A1GAAHDAC3HDAC4
SCHEMBL20283748 0.82 HDAC3 (0.42) CYP19A1ALDH1A1GAAHDAC3HDAC4

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-2935331-B1 PROLACTIN RECEPTOR BINDING PROTEINS AND USES THEREOF ABBVIE INC (US) 2018-02-28 EP disclosed