SCHEMBL6959906

SCHEMBL6959906

[CH2]NC(=O)C1CCCCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
TSHR P16473 3/20 0.50
EPHX1 P07099 1/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
MAPK1 P28482 1/20 0.47
HSD11B1 P28845 2/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
PTPN1 P18031 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NAAA Q02083 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CETP P11597 1/20 0.40
HDAC3 O15379 1/20 0.40

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
SCHEMBL6959156 1.00 HDAC8 (0.61) HDAC8HDAC6TSHREPHX1CES2
SCHEMBL2984367 1.00 HDAC8 (0.61) HDAC8HDAC6TSHREPHX1CES2
SCHEMBL734213 0.97
SCHEMBL1705466 0.92
SCHEMBL289751 0.86
SCHEMBL12323193 0.78 HDAC8 (0.67) HDAC8HDAC6TSHREPHX1CES2
SCHEMBL7056987 0.78 HDAC8 (0.67) HDAC8HDAC6TSHREPHX1CES2
SCHEMBL3077769 0.76 HDAC6 (1.00) HDAC8HDAC6TSHREPHX1CES2
SCHEMBL28376355 0.76 HDAC8 (0.64) HDAC8HDAC6TSHREPHX1CES2
SCHEMBL5140992 0.76 HDAC6 (1.00) HDAC8HDAC6TSHREPHX1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed
US-5827863-A Pyrazole derivatives as angiotensin II antagonists J. URIACH & CIA, S.A. (ES) 1998-10-27 US disclosed
EP-0721454-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA. S.A. (ES) 1996-07-17 EP disclosed
WO-1996004273-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA, S.A. (ES) 1996-02-15 WO disclosed