SCHEMBL7833002

SCHEMBL7833002

CCCCCC(=O)ONC(=O)CCCCCCc1ccc2ccccc2c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.44
MTNR1A P48039 2/20 0.41
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
NCEH1 Q6PIU2 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL28675256 0.83 TSHR (0.53) LMNASMN1; SMN2KMT2ANPSR1NCEH1
SCHEMBL28965419 0.83 TSHR (0.53) LMNASMN1; SMN2KMT2ANPSR1NCEH1
SCHEMBL31146864 0.83 TSHR (0.53) LMNASMN1; SMN2KMT2ANPSR1NCEH1
SCHEMBL28692968 0.83 TSHR (0.53) LMNASMN1; SMN2KMT2ANPSR1NCEH1
SCHEMBL7833268 0.81 HDAC1 (0.51)
SCHEMBL7820610 0.77 CYP1A2 (0.50) LMNASMN1; SMN2KMT2ANCEH1KDM4E
SCHEMBL7832930 0.74 CDYL (0.46) MTNR1AKDM4E
SCHEMBL7833282 0.74 CDYL (0.46) MTNR1AKDM4E
SCHEMBL7821031 0.74 TDP1 (0.37) MTNR1ASMN1; SMN2KMT2ANCEH1KDM4E
SCHEMBL7832242 0.73 HDAC1 (0.49) LMNASMN1; SMN2ALDH1A1NPC1RAB9A

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