SCHEMBL7833535

SCHEMBL7833535

COC(=O)CCCCCc1nccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.48
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
GBA1 P04062 1/20 0.46
CNR1 P21554 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
LTB4R Q15722 1/20 0.44

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
SCHEMBL7831579 1.00 CNR2 (0.48) CNR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL10637123 0.89 KDM4E (0.52) CNR2CNR1CYP1A2CYP2C19ALDH1A1
SCHEMBL7833306 0.83 HDAC1 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7829653 0.83 HDAC1 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7832999 0.82 HDAC1 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8798020 0.82 CYP1A2 (0.52) CNR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL18154032 0.81 PLAU (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19586249 0.80 SMN1; SMN2 (0.51) CNR2CNR1CYP1A2CYP2C19ALDH1A1
Bromide SCHEMBL18154039 0.80 PLAU (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL11152119 0.80 PLAU (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2

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