SCHEMBL3413239

SCHEMBL3413239

CC1=C(CCCC(=O)Nc2ccc(Cl)cc2N)C(=O)C(C)C(C)C1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HDAC3 O15379 9/20 0.39
TSHR P16473 1/20 0.38
HDAC2 Q92769 3/20 0.38
NCOR2 Q9Y618 2/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38

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
SCHEMBL1658997 0.83 HDAC1 (0.43) HDAC1POLBGAAALDH1A1KDM4E
SCHEMBL27736941 0.75 KDM4E (0.59) HDAC1POLBGAAALDH1A1KDM4E
SCHEMBL1656642 0.73 HDAC3 (0.55) HDAC1POLBALDH1A1HDAC3TSHR
SCHEMBL1656633 0.70 L3MBTL1 (0.60) HDAC1ALDH1A1HDAC3TSHRHDAC2
SCHEMBL1655297 0.70 MAPT (0.42) HDAC1ALDH1A1HDAC3HDAC2HDAC4
SCHEMBL1659367 0.69 POLB (0.54) HDAC1POLBGAAALDH1A1KDM4E
SCHEMBL6226752 0.68 GABRP (0.57) HDAC1POLBALDH1A1KDM4E
SCHEMBL1938823 0.67 HDAC3 (0.77) HDAC1HDAC3HDAC2NCOR2HDAC8
SCHEMBL38661880 0.67 HDAC1 (0.47) HDAC1POLBGAAALDH1A1KDM4E
SCHEMBL5103850 0.67 MEN1 (0.54) HDAC1POLBGAAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2262508-A2 SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES Edison Pharmaceuticals, Inc. (US) 2010-12-22 EP disclosed
WO-2009111576-A2 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES EDISON PHARMACEUTICALS, INC. (US) 2009-09-11 WO disclosed