SCHEMBL7829068

SCHEMBL7829068

CCOC(=O)CCCCCCc1ccc2ccccc2c1O

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.61
CYP4A11 Q02928 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
TNF P01375 1/20 0.50
CNR1 P21554 2/20 0.46
TOP2A P11388 1/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
CASP3 P42574 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL9614852 0.99 CYP4F2 (0.63) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL9614835 0.89 CYP4F2 (0.60) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL27674003 0.82 CYP4F2 (0.65) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL7831168 0.82 CYP1A1 (0.54) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL9883405 0.80 MEN1 (0.60) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL9883387 0.80 MEN1 (0.60) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4
SCHEMBL9748816 0.80 TDP1 (0.49) TDP1L3MBTL1
SCHEMBL9749184 0.79 CYP1A2 (0.57) SMN1; SMN2CYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL9749632 0.79 MTNR1A (0.50)
SCHEMBL30594122 0.79 CYP4F2 (0.68) CYP4F2CYP4A11SMN1; SMN2CYP1A2CYP3A4

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