SCHEMBL7568209

SCHEMBL7568209

CCCCC(=O)Nc1ccc(C(=O)N(CC)CC)cc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.50
HDAC1 Q13547 6/20 0.50
ERAP2 Q6P179 1/20 0.46
LNPEP Q9UIQ6 1/20 0.46
POLB P06746 2/20 0.45
NCOR2 Q9Y618 2/20 0.44
TSHR P16473 1/20 0.44
HDAC2 Q92769 2/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
ALDH1A1 P00352 4/20 0.43
GAA P10253 2/20 0.43
CETP P11597 1/20 0.43
HSP90AA1 P07900 2/20 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
SCHEMBL7569415 0.84 KDM4E (0.60) HDAC3HDAC1ERAP2LNPEPPOLB
SCHEMBL7572903 0.81 MAPT (0.56) MAPT
SCHEMBL5591927 0.79 PRKCI (0.61) TSHRALDH1A1GAAHSP90AA1HSP90AB1
SCHEMBL8396604 0.78 GAA (0.56) HDAC3HDAC1POLBNCOR2HDAC2
SCHEMBL27757715 0.77 HDAC1 (0.62) HDAC3HDAC1POLBNCOR2HDAC2
SCHEMBL2952990 0.74 HSP90AA1 (0.57) TSHRALDH1A1HSP90AA1HSP90AB1HPGD
SCHEMBL31621299 0.74 HSP90AA1 (0.57) TSHRALDH1A1HSP90AA1HSP90AB1HPGD
SCHEMBL27736940 0.73 HDAC3 (0.78) HDAC3HDAC1POLBNCOR2TSHR
SCHEMBL2618087 0.73 HDAC1 (0.64) HDAC3HDAC1NCOR2HDAC2HDAC4
SCHEMBL27736941 0.73 KDM4E (0.59) HDAC3HDAC1POLBNCOR2HDAC2

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-0685470-B1 Benzene derivatives and pharmaceutical composition KUREHA CHEMICAL IND CO LTD (JP) 2002-09-11 EP disclosed
EP-0685470-A2 Benzene derivatives and pharmaceutical composition Kureha Chemical Industry Co., Ltd. (JP) 1995-12-06 EP disclosed