SCHEMBL7833010

SCHEMBL7833010

CCOC(=O)CCCCCC(c1ccccc1)c1ccc2ccccc2c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.46
TOP2A P11388 2/20 0.44
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
CNR1 P21554 2/20 0.42
TBXA2R P21731 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7831302 0.85 MEN1 (0.50) TNFTOP2ACYP4F2CYP4A11CYP3A4
SCHEMBL7833020 0.84 CYP4F2 (0.41) TNFTOP2ACYP4F2CYP4A11CYP3A4
SCHEMBL7832985 0.80 HDAC1 (0.54) RCE1
SCHEMBL7829068 0.77 CYP4F2 (0.61) TNFTOP2ACYP4F2CYP4A11CYP3A4
SCHEMBL7831168 0.77 CYP1A1 (0.54) TNFTOP2ACYP4F2CYP4A11CYP3A4
SCHEMBL711239 0.76 CYP3A4 (0.52) TOP2ACYP4F2CYP4A11CYP3A4CYP2D6
SCHEMBL9614852 0.76 CYP4F2 (0.63) TNFTOP2ACYP4F2CYP4A11CYP3A4
SCHEMBL7832871 0.75 TNF (0.48) TNFTOP2ACYP4F2CYP4A11CYP3A4
SCHEMBL9506941 0.75 TBXA2R (0.51) CYP4F2CYP4A11CYP3A4CYP2D6CYP2C19
SCHEMBL28633131 0.74 SMN1; SMN2 (0.51) TOP2ACYP4F2CYP4A11CYP3A4CYP2D6

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