SCHEMBL7828974

SCHEMBL7828974

O=C(O)CCCCCc1cncc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
TBXAS1 P24557 10/20 0.49
F13A1 P00488 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
PTGIS Q16647 1/20 0.43
LTB4R Q15722 1/20 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
SCHEMBL7829764 1.00 MAPT (0.50) MAPTRXFP1TBXAS1F13A1MEN1
SCHEMBL7832915 1.00 MAPT (0.50) MAPTRXFP1TBXAS1F13A1MEN1
SCHEMBL2849208 0.88 CCNC (0.48) MEN1KMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL30873960 0.88 CCNC (0.48) MEN1KMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL7832111 0.86 HDAC1 (0.54) TBXAS1
SCHEMBL2837957 0.82 CASP1 (0.44)
SCHEMBL6842066 0.81 TDP1 (0.59) MAPTRXFP1F13A1MEN1KMT2A
SCHEMBL710750 0.81 TDP1 (0.59) MAPTRXFP1F13A1MEN1KMT2A
SCHEMBL3732554 0.81 TDP1 (0.59) MAPTRXFP1F13A1MEN1KMT2A
SCHEMBL1616841 0.81 TDP1 (0.59) MAPTRXFP1F13A1MEN1KMT2A

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