SCHEMBL7833554

SCHEMBL7833554

CCNC(=O)ONC(=O)CCCCC(C1=C(C)C(=O)c2ccccc2C1=O)c1ccc(OC)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.38
CNR1 P21554 1/20 0.38
GAA P10253 1/20 0.37
ALDH1A1 P00352 5/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
CASR P41180 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35

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
SCHEMBL7831219 0.92 HDAC2 (0.38) ALDH1A1CYP3A4CYP2D6CYP2C19HDAC2
SCHEMBL7832521 0.89 CNR2 (0.39) CNR2CNR1GAAALDH1A1CYP1A2
SCHEMBL7821185 0.89 CNR2 (0.40) CNR2CNR1GAAALDH1A1CYP1A2
SCHEMBL7820846 0.89 TNF (0.39) CNR2CNR1GAAALDH1A1CYP1A2
SCHEMBL7831395 0.88 CNR2 (0.38) CNR2CNR1GAAALDH1A1CYP1A2
SCHEMBL7820480 0.87 MMP1 (0.39) CNR2CNR1GAAALDH1A1KMT2A
SCHEMBL7828986 0.87 KMT2A (0.39) CNR2CNR1GAAALDH1A1KMT2A
SCHEMBL7821082 0.87 GAA (0.40) CNR2CNR1GAAALDH1A1CYP1A2
SCHEMBL7835427 0.86 CNR2 (0.43) CNR2CNR1GAAALDH1A1CYP1A2
SCHEMBL7820585 0.86 KMT2A (0.41) CNR2CNR1GAAALDH1A1CYP1A2

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