SCHEMBL27762656

SCHEMBL27762656

CC(CC(=N)C1CC1)NC(=O)/C(=C/CCCCC(=O)NO)COc1cccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ PREP P48147 1/20 0.38
▸ CASP8 Q14790 3/20 0.38
▸ CASP1 P29466 2/20 0.38
▸ CASP7 P55210 2/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL27784520 0.88 KDM4E (0.39) CASP3ALDH1A1CASP8CASP1CASP7
SCHEMBL27784518 0.87 ADAMTS4 (0.41) CASP3ALDH1A1PREPCASP8CASP1
SCHEMBL27784534 0.86 KDM4E (0.40) CASP3ALDH1A1CASP8CASP1CASP7
SCHEMBL1306543 0.85 HDAC3 (0.42) CASP3ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL1306548 0.85 HDAC3 (0.42) CASP3ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL29488463 0.85 HDAC3 (0.42) CASP3ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL27784514 0.83 HDAC1 (0.43) CASP3PREPCASP8CASP1CASP7
SCHEMBL1306884 0.82 HDAC1 (0.40) CASP3ALDH1A1PREPCASP8CASP1
SCHEMBL29488460 0.82 HDAC1 (0.40) CASP3ALDH1A1PREPCASP8CASP1
SCHEMBL1306881 0.82 HDAC1 (0.40) CASP3ALDH1A1PREPCASP8CASP1

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
CN-101573327-A Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same KOREA RES INST CHEM TECH (KR) 2009-11-04 — — CN claimed
CN-101573327-A Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same KOREA RES INST CHEM TECH (KR) 2009-11-04 — — CN disclosed
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