SCHEMBL4659908

SCHEMBL4659908

COC(=O)C(Cl)(Cl)CCCCCCCCCC(=O)c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.45
HDAC1 Q13547 3/20 0.45
GSK3B P49841 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
MMP1 P03956 1/20 0.42
POLB P06746 1/20 0.41
HSD17B3 P37058 5/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 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
SCHEMBL4661439 0.82 L3MBTL1 (0.49) HDAC8HDAC1GSK3BMEN1KMT2A
SCHEMBL4661260 0.81 VNN1 (0.44) HDAC8HDAC1MEN1KMT2ALMNA
SCHEMBL3673780 0.80 HDAC3 (0.43) HDAC8HDAC1MEN1KMT2AL3MBTL1
SCHEMBL4659889 0.80 HDAC3 (0.49) HDAC8HDAC1KMT2AALDH1A1L3MBTL1
SCHEMBL4661128 0.80 HDAC3 (0.48) HDAC8HDAC1KMT2AALDH1A1L3MBTL1
SCHEMBL6809560 0.77 MAPT (0.51) HDAC8HDAC1GSK3BMEN1KMT2A
SCHEMBL4659891 0.77 GAA (0.47) MEN1KMT2AL3MBTL1POLB
SCHEMBL11663411 0.76 SLC6A4 (0.52) HDAC8HDAC1GSK3BLMNAALDH1A1
SCHEMBL7621068 0.75 PDE4B (0.60) HDAC8HDAC1GSK3BKMT2ALMNA
SCHEMBL4662629 0.75 CYP1A2 (0.47) HDAC8HDAC1MEN1KMT2ALMNA

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-1627866-B1 CARBOXYLIC ACID COMPOUND AND MEDICINE CONTAINING THE SAME KOWA CO (JP) 2008-12-24 EP disclosed
US-7109242-B2 Carboxylic compound and medicine comprising the same KOWA COMPANY, LTD. (JP) 2006-09-19 US disclosed
EP-1627866-A1 CARBOXYLIC ACID COMPOUND AND MEDICINE CONTAINING THE SAME Kowa Company Ltd. (JP) 2006-02-22 EP disclosed