SCHEMBL7832763

SCHEMBL7832763

CCC(=O)ONC(=O)CCCCCC(C#N)c1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 8/20 0.49
▸ HDAC8 Q9BY41 6/20 0.49
▸ CCR1 P32246 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HDAC3 O15379 2/20 0.37
▸ HDAC4 P56524 2/20 0.37
▸ HDAC7 Q8WUI4 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ HDAC10 Q969S8 2/20 0.37
▸ HDAC11 Q96DB2 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ HDAC9 Q9UKV0 2/20 0.37
▸ HDAC5 Q9UQL6 2/20 0.37
▸ UTS2R Q9UKP6 3/20 0.37
▸ PPARG P37231 1/20 0.37
▸ PPARA Q07869 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
SCHEMBL7832515 0.90 HDAC1 (0.51) HDAC1HDAC8CCR1NPC1LMNA
SCHEMBL7832215 0.86 HDAC1 (0.49) HDAC1HDAC8CCR1HDAC3HDAC4
SCHEMBL7834650 0.82 HDAC1 (0.71) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL7835269 0.82 HDAC1 (0.46) HDAC1HDAC8CCR1PPARGPPARA
SCHEMBL7832897 0.82 HDAC3 (0.37) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL7820511 0.79 HDAC1 (0.51) HDAC1HDAC8CCR1HDAC3HDAC4
SCHEMBL31438165 0.70 CCR1 (0.45) CCR1PPARGPPARA
SCHEMBL8050153 0.69 HDAC1 (0.36) HDAC1HDAC8NPC1LMNARAB9A
SCHEMBL8044965 0.68 OPRM1 (0.43) CCR1RAB9AHDAC6
SCHEMBL8045183 0.68 OPRM1 (0.43) CCR1RAB9AHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0737671-B1 Aromatic hydroxamic acid compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-12-12 — — EP disclosed
US-5804601-A USEFUL FOR TREATING ALZHEIMER'S DISEASE, MULTIPLE SCLEROSIS, BACTERIAL OR VIRAL MENINGITIS, DOWN'S SYNDROME AND PARKINSON'S DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-08 — — US disclosed
EP-0737671-A2 Aromatic hydroxamic acid compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1996-10-16 — — EP disclosed
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