SCHEMBL8741502

SCHEMBL8741502

CC(=O)OC(CCCCl)C(=O)Nc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 7/20 0.51
LMNA P02545 2/20 0.49
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KLK7 P49862 6/20 0.48
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
ATM Q13315 1/20 0.48
MME P08473 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
SCHEMBL8741546 0.86 HDAC2 (0.51) HDAC2LMNAHDAC3HDAC4HDAC1
SCHEMBL11077453 0.80 KLK7 (0.52) HDAC2LMNAHDAC3HDAC4HDAC1
SCHEMBL10989929 0.76 KLK7 (0.67) HDAC2LMNAHDAC3HDAC4HDAC1
SCHEMBL29101367 0.75 MEN1 (0.54) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL7589113 0.75 ALDH1A1 (0.53) LMNATSHRMAPTALDH1A1ATM
SCHEMBL7591938 0.73 TSHR (0.34) LMNATSHRMAPTSMN1; SMN2
SCHEMBL3955546 0.72 HDAC2 (0.51) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL8153169 0.72 HDAC2 (0.76) HDAC2LMNAHDAC3HDAC4HDAC1
SCHEMBL3960647 0.71 SIRT1 (0.59) HDAC2LMNAKLK7
SCHEMBL18530333 0.71 POLB (0.52) HDAC2LMNAHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5628980-A Nonionic radiographic contrast agents BRACCO INTERNATIONAL B.V. (NL) 1997-05-13 US disclosed
US-5614638-A Nonionic radiographic contrast agents BRACCO INTERNATIONAL B.V. (NL) 1997-03-25 US disclosed
US-5591846-A Nonionic radiographic contrast agents BRACCO INTERNATIONAL B.V. 1997-01-07 US disclosed
US-5559237-A Process for preparation of 2-oxo-1-piperidinyl derivatives BRACCO INTERNATIONAL B.V. (NL) 1996-09-24 US disclosed
US-5359077-A Process for preparation of 2-oxo-1 piperidinyl derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 1994-10-25 US disclosed
EP-0573289-A2 Process for preparation of 2-oxo-1-piperidinyl derivatives BRACCO INTERNATIONAL B.V. (NL) 1993-12-08 EP disclosed