SCHEMBL7835167

SCHEMBL7835167

O=C(O)CCCCCc1nc2ccccc2s1

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.89
HTT P42858 2/20 0.89
ALOX15 P16050 1/20 0.89
LMNA P02545 1/20 0.64
HPGD P15428 7/20 0.63
RAB9A P51151 1/20 0.63
POLB P06746 1/20 0.61
ATM Q13315 1/20 0.61
SLC13A5 Q86YT5 1/20 0.56
GAA P10253 1/20 0.56
MAPK1 P28482 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 5/20 0.56
MAPT P10636 2/20 0.56
PKM P14618 2/20 0.56
KMT2A Q03164 1/20 0.56
DRD2 P14416 1/20 0.53
DRD4 P21917 1/20 0.53
DRD3 P35462 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL7835431 1.00 SMN1; SMN2 (0.89) SMN1; SMN2HTTALOX15LMNAHPGD
Methane SCHEMBL7997331 0.99 SMN1; SMN2 (0.86) SMN1; SMN2HTTALOX15LMNAHPGD
SCHEMBL6645560 0.98 SMN1; SMN2 (0.91) SMN1; SMN2HTTALOX15LMNAHPGD
SCHEMBL243430 0.94 SMN1; SMN2 (1.00) SMN1; SMN2HTTALOX15LMNAHPGD
SCHEMBL4700801 0.88 HTT (0.69) SMN1; SMN2HTTALOX15LMNAHPGD
SCHEMBL1269672 0.88 SMN1; SMN2 (0.82) SMN1; SMN2HTTALOX15LMNAHPGD
SCHEMBL4703104 0.87 HTT (0.71) SMN1; SMN2HTTALOX15LMNAHPGD
SCHEMBL27509034 0.86 SMN1; SMN2 (0.68) SMN1; SMN2HTTALOX15LMNAHPGD
SCHEMBL8593944 0.85 HTT (0.65) SMN1; SMN2HTTALOX15LMNAHPGD
SCHEMBL7829459 0.85 LMNA (0.67) SMN1; SMN2HTTALOX15LMNAHPGD

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