SCHEMBL7512933

SCHEMBL7512933

O=C(O)CCCCC(=O)c1ccccc1-c1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
LTB4R Q15722 1/20 0.44
PTPN1 P18031 1/20 0.42
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
FAAH O00519 1/20 0.42
TBXAS1 P24557 1/20 0.42
MAPT P10636 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42

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
SCHEMBL7506003 0.88 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7503219 0.86 HDAC3 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10806667 0.85 MAPT (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6383722 0.84 PTPN1 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10779179 0.80 ALDH1A1 (0.48) HDAC3HDAC1HDAC2PTPN1ERCC5
SCHEMBL9733448 0.79 ALB (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7512928 0.78 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8636171 0.78 HDAC1 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7499747 0.77 HDAC8 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14732971 0.77 CTNNB1 (0.61) PTPN1ERCC5FEN1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0721942-B1 TETRACYCLIC COMPOUND KYOWA HAKKO KOGYO KK (JP) 2002-06-05 EP disclosed
US-5646283-A IMMUNOSUPPRESSANTS KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-07-08 US disclosed
EP-0721942-A1 NOVEL TETRACYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-07-17 EP disclosed